 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Chair_STD_B3LYPDBJ-augccpVDZr.in
 Output=19_methylcyclohexanone_Chair_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/19_methylcyclohexanone_Chair_STD/Gau-9279.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/19_methylcyclohexanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      9283.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=19_methylcyclohexanone_Chair_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:09:40 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.277695000000     -0.308554000000      0.104897000000
  C                                                 1.175743000000      1.198361000000     -0.017190000000
  C                                                -0.229896000000      1.635230000000     -0.460001000000
  C                                                -1.314447000000      1.003685000000      0.413155000000
  C                                                -1.220070000000     -0.528631000000      0.454249000000
  C                                                 0.183893000000     -0.956062000000      0.929807000000
  O                                                 2.160019000000     -0.945956000000     -0.423269000000
  H                                                 1.949005000000      1.548357000000     -0.699939000000
  H                                                 1.382913000000      1.620529000000      0.973456000000
  H                                                -0.380069000000      1.352660000000     -1.504779000000
  H                                                -0.302484000000      2.723979000000     -0.423105000000
  H                                                -2.302821000000      1.300947000000      0.053848000000
  H                                                -1.222375000000      1.391636000000      1.433196000000
  C                                                -1.562572000000     -1.173371000000     -0.890254000000
  H                                                -1.943141000000     -0.891173000000      1.190510000000
  H                                                 0.310624000000     -2.037815000000      0.892211000000
  H                                                 0.321376000000     -0.633428000000      1.968024000000
  H                                                -0.841880000000     -0.909433000000     -1.666448000000
  H                                                -2.551661000000     -0.861028000000     -1.231130000000
  H                                                -1.561715000000     -2.261533000000     -0.807673000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1          12           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           0           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515286   0.000000
     3  C    2.523933   1.537126   0.000000
     4  C    2.921677   2.534589   1.528889   0.000000
     5  C    2.531662   2.990765   2.549234   1.535770   0.000000
     6  C    1.515304   2.553842   2.969441   2.520429   1.542713
     7  O    1.209850   2.394117   3.517892   4.070948   3.516987
     8  H    2.132261   1.089301   2.193793   3.490811   3.960942
     9  H    2.118213   1.096597   2.157816   2.823152   3.415258
    10  H    2.845851   2.158073   1.092684   2.161786   2.843000
    11  H    3.460059   2.162737   1.091790   2.163980   3.491588
    12  H    3.925964   3.480801   2.161667   1.092863   2.163337
    13  H    3.302329   2.809261   2.151406   1.095202   2.155404
    14  C    3.131350   3.726355   3.138373   2.549512   1.529930
    15  H    3.448447   3.943619   3.470174   2.142434   1.093777
    16  H    2.132002   3.471063   3.951190   3.481533   2.193735
    17  H    2.119276   2.833102   3.368385   2.788131   2.162996
    18  H    2.826892   3.351664   2.881900   2.864976   2.187554
    19  H    4.093185   4.428123   3.495216   2.776963   2.173505
    20  H    3.564991   4.482121   4.132721   3.494740   2.170741
                    6          7          8          9         10
     6  C    0.000000
     7  O    2.394993   0.000000
     8  H    3.470419   2.518466   0.000000
     9  H    2.842248   3.023505   1.768027   0.000000
    10  H    3.402273   3.592401   2.471973   3.053114   0.000000
    11  H    3.950903   4.419541   2.554981   2.451234   1.748300
    12  H    3.470611   5.019278   4.325209   3.812145   2.475675
    13  H    2.782566   4.511251   3.825242   2.655424   3.056582
    14  C    2.531795   3.758654   4.446931   4.467121   2.856009
    15  H    2.143933   4.409445   4.967283   4.173535   3.839605
    16  H    1.089800   2.518513   4.252042   3.813120   4.209268
    17  H    1.095851   3.032584   3.811481   2.682601   4.061641
    18  H    2.791939   3.249342   3.842383   4.280129   2.314405
    19  H    3.487397   4.781190   5.132572   5.147737   3.113055
    20  H    2.787515   3.966083   5.181894   5.187838   3.865829
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.500770   0.000000
    13  H    2.463167   1.754477   0.000000
    14  C    4.122546   2.749827   3.477559   0.000000
    15  H    4.285421   2.495348   2.406162   2.134021   0.000000
    16  H    4.978016   4.322069   3.795245   2.726409   2.546218
    17  H    4.168799   3.780514   2.601940   3.465624   2.408111
    18  H    3.877955   3.159042   3.879109   1.091576   3.061914
    19  H    4.308593   2.527296   3.733648   1.091811   2.497107
    20  H    5.156441   3.739348   4.299103   1.091291   2.452775
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.769122   0.000000
    18  H    3.024607   3.826059   0.000000
    19  H    3.753143   4.305895   1.764992   0.000000
    20  H    2.538761   3.728438   1.756084   1.766557   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.7433685           1.9933769           1.4701036
 Leave Link  202 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     15     16     17     18
 Centers:      19     20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 320 were deleted.
 There are   308 symmetry adapted cartesian basis functions of A   symmetry.
 There are   292 symmetry adapted basis functions of A   symmetry.
   292 basis functions,   520 primitive gaussians,   308 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       394.1249269825 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0329759034 Hartrees.
 Nuclear repulsion after empirical dispersion term =      394.0919510791 Hartrees.
 Leave Link  301 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:              33.9 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   292 RedAO= T EigKep=  1.06D-05  NBF=   292
 NBsUse=   292 1.00D-06 EigRej= -1.00D+00 NBFU=   292
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   308   308   308   308   308 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:               7.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:09:46 2021, MaxMem= 10737418240 cpu:               6.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737220520 LenY= 10737125215
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.273814891969    
 DIIS: error= 1.53D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.273814891969     IErMin= 1 ErrMin= 1.53D-03
 ErrMax= 1.53D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-03 BMatP= 3.65D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.53D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.220 Goal=   None    Shift=    0.000
 GapD=    0.220 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.50D-02 MaxDP=1.70D+00              OVMax= 1.70D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.40D-02    CP:  1.23D+00
 E= -349.277084640605     Delta-E=       -0.003269748636 Rises=F Damp=F
 DIIS: error= 3.54D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.277084640605     IErMin= 2 ErrMin= 3.54D-04
 ErrMax= 3.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-04 BMatP= 3.65D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.54D-03
 Coeff-Com:  0.272D-01 0.973D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.271D-01 0.973D+00
 Gap=     0.216 Goal=   None    Shift=    0.000
 RMSDP=4.98D-04 MaxDP=4.03D-02 DE=-3.27D-03 OVMax= 7.01D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.29D-04    CP:  1.24D+00  1.03D+00
 E= -349.276846197440     Delta-E=        0.000238443166 Rises=F Damp=F
 DIIS: error= 7.28D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -349.277084640605     IErMin= 2 ErrMin= 3.54D-04
 ErrMax= 7.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.11D-04 BMatP= 1.03D-04
 IDIUse=3 WtCom= 2.70D-01 WtEn= 7.30D-01
 Coeff-Com: -0.913D-02 0.675D+00 0.334D+00
 Coeff-En:   0.000D+00 0.749D+00 0.251D+00
 Coeff:     -0.247D-02 0.729D+00 0.273D+00
 Gap=     0.214 Goal=   None    Shift=    0.000
 RMSDP=9.38D-05 MaxDP=7.13D-03 DE= 2.38D-04 OVMax= 4.15D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.83D-05    CP:  1.24D+00  1.03D+00  8.77D-01
 E= -349.277160125705     Delta-E=       -0.000313928266 Rises=F Damp=F
 DIIS: error= 9.82D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.277160125705     IErMin= 4 ErrMin= 9.82D-05
 ErrMax= 9.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.19D-06 BMatP= 1.03D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.453D-02 0.209D+00-0.138D-01 0.810D+00
 Coeff:     -0.453D-02 0.209D+00-0.138D-01 0.810D+00
 Gap=     0.214 Goal=   None    Shift=    0.000
 RMSDP=3.16D-05 MaxDP=1.34D-03 DE=-3.14D-04 OVMax= 6.70D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.61D-05    CP:  1.24D+00  1.03D+00  8.81D-01  1.25D+00
 E= -349.277167498391     Delta-E=       -0.000007372686 Rises=F Damp=F
 DIIS: error= 2.57D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.277167498391     IErMin= 5 ErrMin= 2.57D-05
 ErrMax= 2.57D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.80D-07 BMatP= 9.19D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.896D-03 0.952D-02-0.524D-01 0.432D+00 0.612D+00
 Coeff:     -0.896D-03 0.952D-02-0.524D-01 0.432D+00 0.612D+00
 Gap=     0.214 Goal=   None    Shift=    0.000
 RMSDP=9.15D-06 MaxDP=4.39D-04 DE=-7.37D-06 OVMax= 1.10D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.03D-06    CP:  1.24D+00  1.03D+00  8.98D-01  1.26D+00  7.37D-01
 E= -349.277167891830     Delta-E=       -0.000000393439 Rises=F Damp=F
 DIIS: error= 2.70D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.277167891830     IErMin= 6 ErrMin= 2.70D-06
 ErrMax= 2.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.05D-09 BMatP= 3.80D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.253D-03-0.163D-02-0.199D-01 0.148D+00 0.231D+00 0.643D+00
 Coeff:     -0.253D-03-0.163D-02-0.199D-01 0.148D+00 0.231D+00 0.643D+00
 Gap=     0.214 Goal=   None    Shift=    0.000
 RMSDP=1.31D-06 MaxDP=8.47D-05 DE=-3.93D-07 OVMax= 1.38D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.05D-06    CP:  1.24D+00  1.03D+00  8.99D-01  1.27D+00  7.53D-01
                    CP:  9.98D-01
 E= -349.277167896058     Delta-E=       -0.000000004228 Rises=F Damp=F
 DIIS: error= 9.42D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.277167896058     IErMin= 7 ErrMin= 9.42D-07
 ErrMax= 9.42D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.11D-10 BMatP= 5.05D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.252D-04-0.168D-02-0.404D-02 0.262D-01 0.465D-01 0.294D+00
 Coeff-Com:  0.639D+00
 Coeff:     -0.252D-04-0.168D-02-0.404D-02 0.262D-01 0.465D-01 0.294D+00
 Coeff:      0.639D+00
 Gap=     0.214 Goal=   None    Shift=    0.000
 RMSDP=5.35D-07 MaxDP=5.34D-05 DE=-4.23D-09 OVMax= 5.41D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.79D-07    CP:  1.24D+00  1.03D+00  9.00D-01  1.27D+00  7.57D-01
                    CP:  1.02D+00  7.76D-01
 E= -349.277167896715     Delta-E=       -0.000000000656 Rises=F Damp=F
 DIIS: error= 1.75D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.277167896715     IErMin= 8 ErrMin= 1.75D-07
 ErrMax= 1.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-11 BMatP= 7.11D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.682D-05-0.366D-03 0.845D-04-0.166D-02-0.840D-03 0.496D-01
 Coeff-Com:  0.223D+00 0.730D+00
 Coeff:      0.682D-05-0.366D-03 0.845D-04-0.166D-02-0.840D-03 0.496D-01
 Coeff:      0.223D+00 0.730D+00
 Gap=     0.214 Goal=   None    Shift=    0.000
 RMSDP=1.03D-07 MaxDP=4.78D-06 DE=-6.56D-10 OVMax= 1.13D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.54D-08    CP:  1.24D+00  1.03D+00  9.00D-01  1.27D+00  7.58D-01
                    CP:  1.03D+00  7.99D-01  9.29D-01
 E= -349.277167896754     Delta-E=       -0.000000000040 Rises=F Damp=F
 DIIS: error= 5.38D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.277167896754     IErMin= 9 ErrMin= 5.38D-08
 ErrMax= 5.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-12 BMatP= 2.91D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.420D-05-0.108D-03 0.177D-03-0.164D-02-0.196D-02 0.108D-01
 Coeff-Com:  0.726D-01 0.310D+00 0.610D+00
 Coeff:      0.420D-05-0.108D-03 0.177D-03-0.164D-02-0.196D-02 0.108D-01
 Coeff:      0.726D-01 0.310D+00 0.610D+00
 Gap=     0.214 Goal=   None    Shift=    0.000
 RMSDP=2.00D-08 MaxDP=8.10D-07 DE=-3.97D-11 OVMax= 3.03D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.62D-08    CP:  1.24D+00  1.03D+00  9.00D-01  1.27D+00  7.58D-01
                    CP:  1.03D+00  8.05D-01  9.39D-01  9.09D-01
 E= -349.277167896765     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 1.48D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.277167896765     IErMin=10 ErrMin= 1.48D-08
 ErrMax= 1.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-13 BMatP= 1.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.111D-05-0.134D-04 0.612D-04-0.502D-03-0.686D-03 0.307D-03
 Coeff-Com:  0.101D-01 0.608D-01 0.254D+00 0.676D+00
 Coeff:      0.111D-05-0.134D-04 0.612D-04-0.502D-03-0.686D-03 0.307D-03
 Coeff:      0.101D-01 0.608D-01 0.254D+00 0.676D+00
 Gap=     0.214 Goal=   None    Shift=    0.000
 RMSDP=5.23D-09 MaxDP=3.56D-07 DE=-1.10D-11 OVMax= 9.11D-08

 SCF Done:  E(RB3LYP) =  -349.277167897     A.U. after   10 cycles
            NFock= 10  Conv=0.52D-08     -V/T= 2.0063
 KE= 3.471066758187D+02 PE=-1.599598894565D+03 EE= 5.091230997703D+02
 Leave Link  502 at Thu Jul  8 18:10:50 2021, MaxMem= 10737418240 cpu:            1024.1 elap:              64.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   292
 NBasis=   292 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    292 NOA=    31 NOB=    31 NVA=   261 NVB=   261

 **** Warning!!: The largest alpha MO coefficient is  0.57999605D+02

 Leave Link  801 at Thu Jul  8 18:10:51 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6192 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.35D-13 8.33D-09 XBig12= 1.00D+00 2.05D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.35D-13 8.33D-09 XBig12= 2.17D-01 7.04D-02.
     11 vectors produced by pass  2 Test12= 1.35D-13 8.33D-09 XBig12= 3.11D-02 2.79D-02.
     11 vectors produced by pass  3 Test12= 1.35D-13 8.33D-09 XBig12= 1.95D-03 8.01D-03.
     11 vectors produced by pass  4 Test12= 1.35D-13 8.33D-09 XBig12= 5.99D-05 1.39D-03.
     11 vectors produced by pass  5 Test12= 1.35D-13 8.33D-09 XBig12= 1.04D-06 2.14D-04.
     11 vectors produced by pass  6 Test12= 1.35D-13 8.33D-09 XBig12= 2.15D-08 2.32D-05.
     11 vectors produced by pass  7 Test12= 1.35D-13 8.33D-09 XBig12= 2.50D-10 3.64D-06.
      8 vectors produced by pass  8 Test12= 1.35D-13 8.33D-09 XBig12= 2.07D-12 2.29D-07.
      3 vectors produced by pass  9 Test12= 1.35D-13 8.33D-09 XBig12= 1.55D-14 1.91D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension    99 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.932791D+02
      2 -0.141693D+01  0.910064D+02
      3 -0.242671D+01  0.284571D+00  0.786900D+02
 Isotropic polarizability for W=    0.093368       87.66 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.284328D+02 -0.195364D+02 -0.274459D+02
      2   0.165844D+02  0.218268D+02  0.118783D+01
      3   0.118484D+02 -0.229036D+01  0.262581D+02
      4  -0.181533D+01 -0.228612D+02 -0.245557D+01
      5  -0.236500D+02 -0.220651D+01 -0.362169D+02
      6   0.428212D+00 -0.252548D+01  0.823881D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.830343D+00  0.415715D+01 -0.339116D+01
      2  -0.136884D+02 -0.623476D+00 -0.171794D+02
      3   0.111412D+02  0.108153D+02  0.183263D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.249060D+00 -0.371330D+01 -0.105292D+02
      2  -0.379593D+01 -0.288378D+01 -0.480653D+02
      3   0.177211D+02  0.394457D+02  0.263472D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.666844D+00  0.144416D+01 -0.103852D+01
      2   0.144416D+01 -0.219799D+00  0.513566D+00
      3  -0.103852D+01  0.513566D+00 -0.682300D-01
 OR G Eigenvalues:    -1.8942     0.3677     1.9053  Iso=    -0.1263
 Eigenvectors:
   (1)  -0.570145   0.647025  -0.506253
   (2)  -0.046909   0.589578   0.806348
   (3)   0.820204   0.483483  -0.305794
 w=    0.093368 a.u., Optical Rotation Beta=     -0.1263 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =      -63.45 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   42778 ScalPx= 8.10D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.91D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.25D-14 2.78D-09 XBig12= 1.00D+00 4.55D-01.
     30 vectors produced by pass  1 Test12= 2.25D-14 2.78D-09 XBig12= 2.52D-02 3.20D-02.
     30 vectors produced by pass  2 Test12= 2.25D-14 2.78D-09 XBig12= 7.28D-04 2.51D-03.
     30 vectors produced by pass  3 Test12= 2.25D-14 2.78D-09 XBig12= 7.47D-06 4.28D-04.
     30 vectors produced by pass  4 Test12= 2.25D-14 2.78D-09 XBig12= 4.40D-08 2.73D-05.
     30 vectors produced by pass  5 Test12= 2.25D-14 2.78D-09 XBig12= 1.09D-10 9.99D-07.
     30 vectors produced by pass  6 Test12= 2.25D-14 2.78D-09 XBig12= 2.08D-13 4.58D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 1.97D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 1.97D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.88D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.932791D+02 -0.141693D+01 -0.242671D+01
      2  -0.141693D+01  0.910064D+02  0.284571D+00
      3  -0.242671D+01  0.284571D+00  0.786900D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.830343D+00  0.415715D+01 -0.339116D+01
      2  -0.136884D+02 -0.623476D+00 -0.171794D+02
      3   0.111412D+02  0.108153D+02  0.183263D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.284328D+02 -0.195364D+02 -0.274459D+02
      2   0.165844D+02  0.218268D+02  0.118783D+01
      3   0.118484D+02 -0.229036D+01  0.262581D+02
      4  -0.181533D+01 -0.228612D+02 -0.245557D+01
      5  -0.236500D+02 -0.220651D+01 -0.362169D+02
      6   0.428212D+00 -0.252548D+01  0.823881D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.293926D+01  0.532361D+01  0.728544D+00  0.504610D+01 -0.139417D+01
      2   0.532361D+01  0.493596D+00 -0.288038D+01 -0.139417D+01 -0.421319D+01
      3   0.728544D+00 -0.288038D+01  0.109265D+01 -0.248519D+01  0.187283D+01
                 6             7             8             9            10 
      1  -0.248519D+01  0.121900D+01 -0.308594D+01  0.134020D+00 -0.119206D+00
      2   0.187283D+01 -0.308594D+01  0.842342D+00  0.221390D+01 -0.428859D+01
      3   0.187255D+01  0.134020D+00  0.221390D+01  0.851235D+00  0.272357D+01
                11            12            13            14            15 
      1  -0.428859D+01  0.272357D+01 -0.372762D+01  0.541400D+00  0.783382D+00
      2  -0.373972D+00  0.767560D+00  0.541400D+00  0.349031D+01 -0.172034D+01
      3   0.767560D+00 -0.283703D+01  0.783382D+00 -0.172034D+01 -0.242664D+01
                16            17            18            19            20 
      1   0.444520D+01  0.622441D+00 -0.355583D+01 -0.322710D+01  0.331651D+01
      2   0.622441D+00 -0.176090D+01 -0.368973D+01  0.331651D+01 -0.534374D+00
      3  -0.355583D+01 -0.368973D+01 -0.340486D+01 -0.176925D+01 -0.147303D+00
                21            22            23            24            25 
      1  -0.176925D+01  0.231316D+01  0.102577D+01 -0.120513D+00 -0.228934D+01
      2  -0.147303D+00  0.102577D+01 -0.857161D+01  0.752560D+00  0.832908D-01
      3   0.180095D+01 -0.120513D+00  0.752560D+00  0.221267D+01  0.189823D+01
                26            27            28            29            30 
      1   0.832908D-01  0.189823D+01  0.680776D+01 -0.392836D+01  0.297293D+01
      2  -0.739775D+00  0.202561D+01 -0.392836D+01  0.920476D-01 -0.128463D+00
      3   0.202561D+01  0.646125D+01  0.297293D+01 -0.128463D+00 -0.104460D+01
                31            32            33            34            35 
      1  -0.352476D+01 -0.141212D+00  0.122263D-01  0.441610D+01 -0.391446D+00
      2  -0.141212D+00  0.457629D+01 -0.425172D+00 -0.391446D+00 -0.892964D+00
      3   0.122263D-01 -0.425172D+00 -0.282341D+01 -0.566741D+00 -0.407171D+01
                36            37            38            39            40 
      1  -0.566741D+00 -0.438884D+01  0.328759D+01 -0.399229D+01  0.442973D+01
      2  -0.407171D+01  0.328759D+01  0.996066D+00  0.158906D+00  0.100309D+01
      3  -0.624259D+01 -0.399229D+01  0.158906D+00  0.280273D+01 -0.733575D-01
                41            42            43            44            45 
      1   0.100309D+01 -0.733575D-01 -0.498133D+01 -0.644448D-01  0.392814D+01
      2  -0.519492D+01 -0.811327D-01 -0.644448D-01  0.442620D+00  0.424988D+01
      3  -0.811327D-01  0.361862D+01  0.392814D+01  0.424988D+01  0.155532D+01
                46            47            48            49            50 
      1   0.442099D+01 -0.319716D+01  0.174035D+01 -0.238045D+01 -0.207944D+01
      2  -0.319716D+01 -0.215230D+01  0.819182D+00 -0.207944D+01  0.796154D+01
      3   0.174035D+01  0.819182D+00 -0.150683D+01  0.406434D+00 -0.324013D+00
                51            52            53            54            55 
      1   0.406434D+00  0.131032D+01  0.234312D+00 -0.107099D+01  0.110977D+02
      2  -0.324013D+00  0.234312D+00  0.108624D+01 -0.257925D+01 -0.515855D+01
      3  -0.330672D+01 -0.107099D+01 -0.257925D+01 -0.574397D+01 -0.265469D+01
                56            57            58            59            60 
      1  -0.515855D+01 -0.265469D+01 -0.516628D+01  0.443678D+01  0.172377D+01
      2   0.255778D+01  0.152477D+01  0.443678D+01 -0.373630D+01 -0.214955D+01
      3   0.152477D+01  0.115666D+01  0.172377D+01 -0.214955D+01 -0.161291D+01
                61            62            63            64            65 
      1  -0.351529D+01  0.225114D+01  0.334573D+01  0.600645D+01  0.267621D+01
      2   0.225114D+01 -0.166110D+01 -0.281936D+01  0.267621D+01  0.217570D+01
      3   0.334573D+01 -0.281936D+01 -0.323974D+01 -0.252077D+01 -0.107055D+01
                66            67            68            69            70 
      1  -0.252077D+01  0.181173D+01  0.166386D+01 -0.542644D+00 -0.369082D+01
      2  -0.107055D+01  0.166386D+01  0.146690D+01 -0.880508D+00 -0.143086D+01
      3   0.190849D+01 -0.542644D+00 -0.880508D+00  0.926389D+00  0.259498D+01
                71            72            73            74            75 
      1  -0.143086D+01  0.259498D+01  0.895787D+00  0.168317D+01  0.101662D+01
      2  -0.159625D+01  0.182994D+01  0.168317D+01  0.605599D+00  0.558632D+00
      3   0.182994D+01 -0.254332D+01  0.101662D+01  0.558632D+00  0.967739D+00
                76            77            78            79            80 
      1   0.144151D+01  0.734076D+00  0.564107D+00  0.174891D+01  0.922160D+00
      2   0.734076D+00  0.236704D+01  0.200075D+01  0.922160D+00  0.345913D+01
      3   0.564107D+00  0.200075D+01  0.201481D+01  0.209972D+01  0.292558D+01
                81            82            83            84            85 
      1   0.209972D+01 -0.287281D+00 -0.472239D+00 -0.868341D+00 -0.850823D+00
      2   0.292558D+01 -0.472239D+00 -0.136337D+00  0.637669D-01 -0.476519D+00
      3   0.571490D+01 -0.868341D+00  0.637669D-01 -0.840750D+00 -0.223301D+00
                86            87            88            89            90 
      1  -0.476519D+00 -0.223301D+00 -0.151683D+01 -0.140341D+00 -0.125266D+01
      2   0.198874D+00 -0.107640D+01 -0.140341D+00 -0.122246D+01  0.294636D+00
      3  -0.107640D+01 -0.120997D+01 -0.125266D+01  0.294636D+00 -0.807735D+01
                91            92            93            94            95 
      1  -0.131745D+00  0.127941D+01  0.136813D+00  0.151819D+01 -0.119110D+01
      2   0.127941D+01 -0.759372D+00  0.640900D-01 -0.119110D+01  0.127552D+02
      3   0.136813D+00  0.640900D-01 -0.338632D+00  0.130879D+00 -0.137071D+01
                96            97            98            99           100 
      1   0.130879D+00  0.436175D+00 -0.244369D-01 -0.397319D+00 -0.983252D+01
      2  -0.137071D+01 -0.244369D-01  0.142329D+00  0.119065D+01  0.306301D+01
      3   0.867611D+00 -0.397319D+00  0.119065D+01 -0.840073D+00 -0.120198D+01
               101           102           103           104           105 
      1   0.306301D+01 -0.120198D+01  0.221177D+01 -0.203054D+01  0.142924D+00
      2  -0.228324D+01  0.283864D+00 -0.203054D+01  0.116160D+01 -0.347405D+00
      3   0.283864D+00 -0.101926D+01  0.142924D+00 -0.347405D+00  0.644514D+00
               106           107           108           109           110 
      1  -0.262155D+01  0.787548D+00 -0.140022D+01 -0.521722D+00  0.972696D+00
      2   0.787548D+00 -0.928606D+00  0.102758D+01  0.972696D+00  0.282581D+00
      3  -0.140022D+01  0.102758D+01 -0.272711D+00  0.775974D+00  0.699574D-01
               111           112           113           114           115 
      1   0.775974D+00  0.902884D+00 -0.155284D+00 -0.361645D+00  0.105958D+01
      2   0.699574D-01 -0.155284D+00  0.164963D+01  0.203187D+01 -0.261346D+00
      3   0.469099D+00 -0.361645D+00  0.203187D+01  0.237771D+01 -0.877868D+00
               116           117           118           119           120 
      1  -0.261346D+00 -0.877868D+00  0.500524D+01 -0.212941D+01  0.417567D+01
      2   0.290616D+01  0.320846D+01 -0.212941D+01 -0.527418D+00 -0.531007D+00
      3   0.320846D+01  0.790307D+01  0.417567D+01 -0.531007D+00 -0.162679D+01
               121           122           123           124           125 
      1  -0.313347D+01  0.339929D+00 -0.100176D+01  0.339020D+01 -0.580728D+00
      2   0.339929D+00  0.776398D+01 -0.128716D+00 -0.580728D+00 -0.161413D+01
      3  -0.100176D+01 -0.128716D+00 -0.280504D+01 -0.243416D+01 -0.302769D+01
               126           127           128           129           130 
      1  -0.243416D+01 -0.538573D+01 -0.210235D+01  0.326891D+01 -0.211945D+01
      2  -0.302769D+01 -0.210235D+01 -0.164460D+01  0.834411D+00 -0.182539D+01
      3  -0.570331D+00  0.326891D+01  0.834411D+00 -0.304344D+01  0.892090D+00
               131           132           133           134           135 
      1  -0.182539D+01  0.892090D+00  0.377575D+01  0.106418D+01 -0.334954D+01
      2  -0.111584D+01  0.130021D+01  0.106418D+01  0.142668D+01 -0.187290D+01
      3   0.130021D+01 -0.174375D+01 -0.334954D+01 -0.187290D+01  0.418140D+01
               136           137           138           139           140 
      1   0.195309D+00 -0.110901D+01 -0.110703D+00 -0.146425D+01  0.110207D+01
      2  -0.110901D+01  0.131830D+01 -0.390459D+00  0.110207D+01 -0.988610D+01
      3  -0.110703D+00 -0.390459D+00  0.294597D+00 -0.379711D+00  0.155812D+01
               141           142           143           144           145 
      1  -0.379711D+00 -0.394743D+00 -0.253663D-01  0.257617D+00 -0.454882D+00
      2   0.155812D+01 -0.253663D-01 -0.374329D+00 -0.986094D+00  0.512449D+00
      3  -0.123918D+01  0.257617D+00 -0.986094D+00  0.932347D+00  0.111279D+01
               146           147           148           149           150 
      1   0.512449D+00  0.111279D+01  0.129370D+01  0.403843D+00  0.578081D-01
      2   0.245315D+00 -0.212340D+00  0.403843D+00 -0.770875D-01  0.118789D+01
      3  -0.212340D+00  0.110293D+01  0.578081D-01  0.118789D+01  0.192388D+01
               151           152           153           154           155 
      1   0.143204D+01  0.987146D-01  0.914861D+00  0.215602D+01  0.813069D+00
      2   0.987146D-01  0.118190D+01  0.292125D+00  0.813069D+00  0.113799D+01
      3   0.914861D+00  0.292125D+00  0.974564D+01 -0.160911D+01  0.147894D+00
               156           157           158           159           160 
      1  -0.160911D+01  0.866842D+00  0.598702D+00 -0.559602D-01 -0.190891D+01
      2   0.147894D+00  0.598702D+00 -0.126851D+00 -0.572244D+00 -0.308810D+00
      3   0.274032D+01 -0.559602D-01 -0.572244D+00  0.928319D+00  0.144979D+01
               161           162           163           164           165 
      1  -0.308810D+00  0.144979D+01 -0.846750D+01  0.366363D+00 -0.345481D+01
      2  -0.997644D+00  0.238479D+00  0.366363D+00 -0.138560D+01 -0.357775D-01
      3   0.238479D+00 -0.463927D+01 -0.345481D+01 -0.357775D-01 -0.230721D+01
               166           167           168           169           170 
      1   0.190045D+01 -0.105168D+01  0.886468D+00 -0.221133D+01  0.178930D+00
      2  -0.105168D+01 -0.780284D-01 -0.402345D+00  0.178930D+00 -0.178211D+00
      3   0.886468D+00 -0.402345D+00  0.109556D+01 -0.181656D+01  0.297345D+00
               171           172           173           174           175 
      1  -0.181656D+01 -0.829472D+00 -0.908414D+00 -0.470224D+00 -0.136895D+01
      2   0.297345D+00 -0.908414D+00 -0.107759D+00  0.103256D+00 -0.150419D+01
      3  -0.174098D+01 -0.470224D+00  0.103256D+00  0.228390D+00 -0.355999D+00
               176           177           178           179           180 
      1  -0.150419D+01 -0.355999D+00 -0.103120D+00  0.710077D-01  0.988033D-01
      2  -0.103915D+02 -0.122569D+01  0.710077D-01  0.478959D+00 -0.747454D+00
      3  -0.122569D+01 -0.131501D+01  0.988033D-01 -0.747454D+00 -0.299711D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.774951D+01  0.989210D+01 -0.244258D+01  0.844336D+01 -0.145077D+01
      2  -0.955431D+01 -0.108173D+02 -0.438019D+00 -0.909575D+01  0.176860D+01
      3  -0.658710D+01 -0.947134D+01  0.434780D+01  0.823963D+00  0.131166D+01
                 6             7             8             9            10 
      1   0.693408D+01 -0.112357D+01  0.155418D+02 -0.459270D+01 -0.710900D+01
      2   0.131594D-01 -0.123025D+02 -0.207186D+01  0.116784D+02  0.913486D+01
      3  -0.726786D+01  0.187760D+01 -0.113315D+02  0.153232D+01  0.138430D+02
                11            12            13            14            15 
      1  -0.250222D+00  0.288452D+01 -0.295754D+01  0.231964D+01 -0.101094D+01
      2   0.195650D+01 -0.308773D+01  0.240005D+01 -0.303267D+01 -0.253701D+01
      3  -0.844207D+01  0.265244D+01 -0.105246D+01 -0.626028D+01  0.487620D+01
                16            17            18            19            20 
      1   0.347616D+01  0.949937D+01  0.688793D+01  0.543780D+01 -0.155157D+01
      2  -0.914404D+01 -0.446435D+01 -0.583765D+01 -0.116587D+01  0.148346D+01
      3   0.446236D+01  0.321532D+01 -0.297104D+00 -0.877021D+01  0.101545D+02
                21            22            23            24            25 
      1  -0.282099D+01  0.169999D+01  0.219886D+01 -0.734071D+01 -0.312781D+01
      2   0.307719D-01 -0.798023D+00  0.423745D+01 -0.121529D+01 -0.540641D+01
      3  -0.559259D+01  0.987018D+01  0.183513D+01 -0.216266D+01 -0.593364D+01
                26            27            28            29            30 
      1  -0.116202D+01 -0.135584D+02 -0.584322D+01  0.457979D+00  0.134023D+01
      2  -0.122251D+00  0.428454D+00 -0.108764D+02  0.165070D+01  0.255489D+01
      3  -0.165084D+01  0.370082D+01  0.915211D+00 -0.884710D+01  0.379444D+01
                31            32            33            34            35 
      1   0.841673D+00  0.391737D+01  0.226857D+01  0.353155D+00  0.763678D+01
      2   0.176066D+01  0.708709D+00  0.491643D+01 -0.415222D+01  0.675195D+01
      3  -0.237175D+01  0.746768D+01  0.110969D+00  0.500425D+01 -0.153036D+01
                36            37            38            39            40 
      1   0.563122D+01 -0.193048D+00  0.650790D+00  0.104038D+01  0.116620D+01
      2   0.881452D+01  0.147918D+02 -0.127086D+01  0.122574D+01 -0.701774D+01
      3  -0.643121D+01  0.859444D+01 -0.502141D+01  0.295353D+01 -0.139339D+01
                41            42            43            44            45 
      1  -0.362535D+01 -0.101806D+01 -0.113688D+01  0.664507D+01  0.269768D+01
      2  -0.199055D+01 -0.342398D+01 -0.155580D+01 -0.458743D+01 -0.290947D+01
      3  -0.107121D+02  0.147737D+01  0.560427D+01  0.145998D+01  0.288566D+01
                46            47            48            49            50 
      1  -0.105419D+01 -0.363811D+01 -0.245102D+01 -0.358823D+01  0.868714D+01
      2  -0.910027D+01  0.511095D+01  0.141629D+00  0.637835D+01  0.192952D+01
      3  -0.359968D+01  0.576877D+01 -0.297200D+01  0.117945D+02 -0.276250D+01
                51            52            53            54            55 
      1  -0.875391D+01  0.534419D-02 -0.121847D+01 -0.928372D+01 -0.454908D+01
      2   0.161937D+01 -0.931987D+01  0.317397D+00 -0.179664D+01 -0.272696D+01
      3   0.101733D+01 -0.363567D+01  0.790414D+00  0.144444D+01  0.189112D+01
                56            57            58            59            60 
      1  -0.444988D+01  0.357585D+01 -0.124359D+01  0.858676D-01 -0.731419D+01
      2   0.445915D+01  0.913979D+01  0.462845D+01 -0.364532D+01 -0.376125D+01
      3  -0.814778D+01 -0.128062D+01  0.104993D+01  0.912157D+01  0.330102D+01
                61            62            63            64            65 
      1   0.119796D+01 -0.123025D+01 -0.440205D+00  0.319670D+01  0.114591D+01
      2   0.485922D+01 -0.125160D+01 -0.104886D+02 -0.242923D+01 -0.243805D+01
      3   0.407178D+00  0.845437D+01  0.120601D+01  0.505127D+01 -0.291311D+01
                66            67            68            69            70 
      1  -0.344641D+01  0.153387D+01  0.118777D+01 -0.283593D+01 -0.377141D+01
      2   0.513096D+01 -0.713891D+00 -0.991106D+00  0.196373D+01  0.252763D+01
      3  -0.152266D+01  0.216235D+01  0.655022D+00 -0.134330D+00 -0.374620D+01
                71            72            73            74            75 
      1  -0.555472D+00  0.371696D+01 -0.141708D+01 -0.106903D+01 -0.207023D+01
      2   0.264876D+01 -0.499746D+01  0.119246D+01  0.101996D+01  0.309028D+01
      3   0.149920D+01  0.434596D+00 -0.134315D+01  0.954027D+00  0.597336D+00
                76            77            78            79            80 
      1  -0.674823D+00 -0.164949D+01 -0.412962D+01 -0.316816D+01 -0.453792D+01
      2   0.453030D+00  0.226762D+01  0.303427D+01  0.135325D+01  0.584168D+01
      3   0.283412D+01 -0.206311D+01 -0.186468D+01  0.247345D+01 -0.233994D+01
                81            82            83            84            85 
      1  -0.992335D+01  0.182659D+01  0.101724D+01  0.207965D+01  0.135966D+01
      2   0.963223D+01  0.404809D-01 -0.598830D+00  0.823897D+00 -0.159901D+01
      3  -0.323187D+00 -0.553412D+00 -0.333629D+01 -0.145677D+01 -0.182720D+01
                86            87            88            89            90 
      1   0.327167D+01  0.328466D+01  0.269072D+01  0.444518D+01  0.163864D+02
      2  -0.715944D+00 -0.445617D-01 -0.378064D+01 -0.630413D+00  0.704521D+00
      3  -0.229402D+00 -0.280793D+00 -0.300068D+01 -0.887101D+00 -0.199600D+01
                91            92            93            94            95 
      1  -0.944959D+00  0.195480D+00  0.529067D+00 -0.604671D+00 -0.139903D+01
      2  -0.766256D-01  0.522792D+00  0.116340D+01  0.221948D+01 -0.223271D+01
      3   0.414061D-01  0.839589D+00  0.926145D+00  0.767338D+01 -0.299105D+00
                96            97            98            99           100 
      1  -0.438783D+01  0.348461D+00 -0.946591D+00  0.173632D+01  0.332278D+01
      2  -0.286344D+00 -0.168033D+00 -0.796663D+00 -0.273520D+00  0.641413D+01
      3  -0.340982D+00  0.171239D+01 -0.681759D+00 -0.564359D+00 -0.824868D+01
               101           102           103           104           105 
      1  -0.119789D+01  0.236164D+01 -0.126266D+01  0.962022D+00 -0.206461D+01
      2  -0.221747D+01  0.537347D+01 -0.109496D+01  0.146038D+01 -0.195877D+01
      3  -0.422997D+01 -0.858443D+00  0.124481D+01 -0.190059D+00 -0.585905D+00
               106           107           108           109           110 
      1   0.218828D+01 -0.466455D+00  0.112329D+01  0.105222D+00  0.721946D+00
      2   0.253483D+01 -0.237917D+01  0.180902D+01 -0.743913D+00 -0.641593D+00
      3  -0.285673D+01 -0.190356D+01  0.212174D+00  0.127395D+01  0.106211D+01
               111           112           113           114           115 
      1  -0.942538D+00  0.351744D+00 -0.534202D+00 -0.318436D+01  0.835208D+00
      2  -0.566333D-01 -0.717193D+00 -0.304039D+01 -0.335302D+01 -0.245997D+01
      3   0.651664D+00  0.297610D+01  0.185102D+01  0.250861D+01  0.196989D+01
               116           117           118           119           120 
      1   0.148503D+01 -0.823683D+01  0.971842D+01 -0.113149D+00 -0.301727D+01
      2  -0.451413D+01 -0.117556D+02 -0.357586D+01 -0.836974D+00  0.127250D+02
      3   0.445032D+01  0.350375D+01 -0.115843D+02  0.300196D+00 -0.778791D+01
               121           122           123           124           125 
      1  -0.322366D+01 -0.109571D+02 -0.758649D+01 -0.311339D+01 -0.201470D+01
      2  -0.617180D+00  0.783841D+00  0.439425D+01  0.761623D+01  0.531717D+01
      3   0.726285D+01  0.144231D+02  0.699183D+00 -0.636184D+01 -0.181517D+01
               126           127           128           129           130 
      1   0.362029D+01 -0.509893D+00 -0.221600D+01 -0.115676D+01 -0.145911D+01
      2  -0.181774D+01  0.795101D+00  0.228514D+00  0.341482D+01  0.162802D+01
      3  -0.223755D+01  0.113772D+01 -0.381617D+01 -0.135907D+01  0.608526D+00
               131           132           133           134           135 
      1  -0.698564D+00 -0.149385D+01  0.484453D+00  0.197311D+01  0.628079D+00
      2  -0.224729D+00  0.263821D+01 -0.213382D+01  0.182431D+01 -0.348403D+01
      3  -0.963902D+00  0.145962D+01 -0.329718D+01  0.263574D+01 -0.206208D+00
               136           137           138           139           140 
      1  -0.664907D+00  0.495061D+00  0.190797D+00  0.422889D+00 -0.101260D+02
      2  -0.742445D+00  0.816038D+00  0.145254D+01  0.212481D+01 -0.893090D+00
      3  -0.112327D+01 -0.130606D+01  0.854620D+00  0.549646D+01  0.221408D+01
               141           142           143           144           145 
      1  -0.283919D+01  0.540839D+00 -0.264698D+00 -0.179519D+00  0.129097D+01
      2  -0.287819D+00 -0.492468D+00 -0.307774D+00 -0.125991D+00  0.129595D+01
      3   0.289128D+00  0.770264D+00  0.101874D+01  0.260148D+00  0.993198D+00
               146           147           148           149           150 
      1   0.197698D+00  0.255189D+01 -0.417264D+00  0.125645D+01  0.400690D+01
      2  -0.517508D+00 -0.985095D+00 -0.182850D+01  0.283107D-01 -0.508245D+00
      3  -0.181832D+01 -0.162002D+01 -0.188609D+00 -0.231993D+00 -0.994176D+00
               151           152           153           154           155 
      1   0.691096D+00  0.437422D+01  0.129775D+02 -0.438618D+01 -0.323964D+01
      2  -0.336653D+01  0.356605D+00 -0.213611D+00  0.830032D+01  0.177827D+01
      3  -0.128478D+01 -0.346680D+00 -0.234651D+01 -0.215735D+01 -0.745069D+00
               156           157           158           159           160 
      1   0.430958D+01 -0.179821D+01 -0.231827D+01  0.162879D+01  0.376891D+01
      2  -0.604257D+01  0.218381D+01  0.226318D+01 -0.176679D+01 -0.822655D+01
      3   0.247625D+01  0.418243D+00 -0.885262D+00 -0.699930D+00  0.217450D+01
               161           162           163           164           165 
      1   0.436779D+01 -0.710815D+01 -0.575711D+01  0.265806D+01 -0.288629D+01
      2  -0.166220D+01  0.941963D+01 -0.297753D+01  0.104823D+01  0.378106D+01
      3  -0.291937D+00 -0.212614D+01  0.114437D+02 -0.638692D+01  0.425524D+01
               166           167           168           169           170 
      1   0.195208D+01 -0.994380D+00  0.928760D+00 -0.241544D+01  0.200702D+01
      2   0.682966D+00 -0.116051D+00 -0.180168D+01 -0.170808D+01 -0.614669D+00
      3  -0.348154D+01  0.193793D+01 -0.139461D+01  0.358859D+01 -0.130066D+01
               171           172           173           174           175 
      1  -0.268330D+01 -0.219344D+00  0.293220D+00  0.370489D+00  0.671424D+00
      2   0.227923D+01  0.791205D+00 -0.592787D+00 -0.923663D-01 -0.977383D+00
      3   0.307478D+01 -0.510650D+00 -0.102174D+00  0.797473D+00  0.273691D+01
               176           177           178           179           180 
      1   0.972310D+01 -0.443788D+01  0.568866D+00 -0.742279D-01  0.743682D+00
      2   0.143494D+01  0.236532D+01 -0.131170D+01  0.105189D+01  0.148042D+00
      3  -0.169268D+02 -0.122724D+01  0.719702D-01  0.555424D+00 -0.172644D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.221319D+02  0.154665D+02 -0.283205D+01  0.213451D+02 -0.853792D+01
      2   0.845156D+01 -0.484306D+01 -0.291895D+01 -0.147557D+02  0.210347D+01
      3   0.136804D+02 -0.106234D+02  0.575100D+01 -0.658936D+01  0.643445D+01
      4   0.267375D+02 -0.103034D+02 -0.943880D+01 -0.169784D+02 -0.151485D+01
      5   0.873487D+01 -0.663563D+01 -0.270041D+01 -0.965758D+01  0.511134D+01
      6  -0.452918D+01  0.827670D+01  0.154644D+01  0.365793D+00 -0.574164D+01
                 6             7             8             9            10 
      1  -0.915183D+01  0.137650D+02 -0.106368D+02 -0.179448D+01 -0.142724D+01
      2   0.440430D+01 -0.646875D+01  0.195944D+01 -0.362587D+01 -0.212178D+01
      3   0.474754D+01 -0.729626D+01  0.867739D+01  0.542034D+01  0.354902D+01
      4   0.351970D+01 -0.138945D+02  0.113461D+02  0.107061D+02 -0.122819D+02
      5   0.835609D+01  0.294099D+01  0.592895D+01  0.126294D+02  0.116483D+02
      6  -0.745798D+01  0.390291D+01 -0.202109D+01  0.106429D+01  0.985711D+01
                11            12            13            14            15 
      1  -0.975584D+01  0.101188D+02 -0.653025D+01 -0.266348D+01  0.572507D+01
      2   0.611586D+01 -0.542305D+01  0.377917D+01  0.129700D+02 -0.364550D+01
      3   0.363998D+01 -0.469575D+01  0.275107D+01 -0.103065D+02 -0.207958D+01
      4  -0.986035D+01  0.932250D+01 -0.162369D+01 -0.353461D-01 -0.279074D+01
      5   0.680861D+01 -0.113158D+02  0.427201D+01 -0.186158D+01 -0.872052D+01
      6  -0.185227D+01 -0.737891D+01  0.178533D+01 -0.221647D+01 -0.622303D+01
                16            17            18            19            20 
      1   0.868100D+01  0.991022D+01 -0.346918D+00 -0.447815D+01 -0.213001D+01
      2  -0.432317D+01 -0.559216D+01 -0.150728D+01  0.686980D+01  0.362127D+01
      3  -0.435783D+01 -0.431806D+01  0.185420D+01 -0.239165D+01 -0.149126D+01
      4   0.109757D+02 -0.681091D+01 -0.201601D+02 -0.533808D+01 -0.163249D+01
      5  -0.132571D+02 -0.135229D+02 -0.738806D+01  0.178081D+01 -0.179100D+01
      6  -0.109257D+02 -0.151634D+02 -0.141338D+02 -0.752163D+01 -0.123182D+00
                21            22            23            24            25 
      1   0.227251D+01 -0.186352D+01  0.292971D+02 -0.399591D+00  0.329263D+01
      2  -0.736964D-01  0.550782D+01 -0.531013D+02  0.605042D+01  0.581372D+00
      3  -0.219881D+01 -0.364430D+01  0.238042D+02 -0.565083D+01 -0.387400D+01
      4  -0.445475D+01  0.632784D+01  0.122357D+02 -0.193162D+01 -0.494341D+01
      5  -0.175294D+01 -0.186827D+00 -0.140023D+01 -0.639505D+00  0.140359D+01
      6   0.540121D+01 -0.245073D+01  0.967022D+01  0.808718D+01  0.426054D+01
                26            27            28            29            30 
      1   0.376096D+00  0.502413D+01 -0.251554D+02  0.157080D+02 -0.104267D+02
      2  -0.622468D+00  0.121237D+02  0.580700D+01 -0.892435D+01  0.703168D+01
      3   0.246373D+00 -0.171478D+02  0.193484D+02 -0.678362D+01  0.339499D+01
      4   0.153043D+01  0.291343D+01  0.226241D+02 -0.677474D+01  0.589044D+01
      5  -0.593972D+00 -0.463410D+01 -0.100937D+02  0.428280D+00  0.423698D+01
      6   0.759901D+01  0.185774D+02  0.308119D+01  0.108415D+01 -0.340528D+01
                31            32            33            34            35 
      1   0.957918D+01 -0.248372D+01  0.633255D+01 -0.120488D+02  0.663551D+01
      2  -0.466843D+01  0.847214D+01  0.924585D+00  0.631666D+01  0.478635D+01
      3  -0.491075D+01 -0.598843D+01 -0.725714D+01  0.573212D+01 -0.114219D+02
      4  -0.960694D+01 -0.667180D+01  0.777787D+00  0.105443D+02  0.398912D+01
      5   0.475173D+00 -0.254588D+01  0.647866D+01  0.999453D+00  0.101856D+02
      6  -0.968966D+00 -0.302419D+01 -0.103248D+02  0.963652D+00 -0.974013D+01
                36            37            38            39            40 
      1   0.111931D+02  0.367349D+00 -0.102538D+02  0.165156D+02 -0.575875D+01
      2   0.577300D+00  0.231649D+01  0.633656D+01 -0.109098D+02  0.385645D+01
      3  -0.117704D+02 -0.268384D+01  0.391722D+01 -0.560584D+01  0.190230D+01
      4   0.112544D+02 -0.857076D+01 -0.573763D+01  0.679668D+01 -0.783283D+01
      5   0.133611D+02  0.205031D+02  0.617722D+01 -0.152296D+02  0.201529D+01
      6  -0.213747D+02  0.948322D+01 -0.501044D+00 -0.592190D+01  0.350792D+01
                41            42            43            44            45 
      1  -0.631710D+01 -0.143615D+01  0.113957D+02  0.262371D+01 -0.113811D+02
      2   0.914052D+01 -0.181473D+00 -0.922399D+01 -0.712071D+01  0.342587D+01
      3  -0.282343D+01  0.161762D+01 -0.217168D+01  0.449701D+01  0.795522D+01
      4   0.565360D+01  0.226748D+01  0.396454D+01 -0.329171D+01 -0.180376D+02
      5   0.474516D+01 -0.108366D+02 -0.166987D+02 -0.147865D+02  0.380036D+01
      6   0.259791D+00 -0.741862D+01 -0.100821D+02 -0.583355D+01  0.164654D+01
                46            47            48            49            50 
      1   0.108692D+01 -0.619570D+01  0.290832D+01 -0.271330D+01  0.154128D+02
      2  -0.163416D+01  0.809874D+01  0.378354D+01  0.402995D+01 -0.280135D+02
      3   0.547244D+00 -0.190304D+01 -0.669187D+01 -0.131666D+01  0.126007D+02
      4  -0.607522D+01 -0.839187D+00 -0.698981D-01  0.360131D+01  0.906428D+01
      5  -0.528127D+01 -0.396204D+00  0.241461D+01 -0.299379D+00 -0.296505D+01
      6  -0.558575D+01 -0.497302D+01  0.313548D+01 -0.286546D+01  0.103339D+02
                51            52            53            54            55 
      1   0.702169D+01 -0.268115D+01  0.563148D+01  0.168236D+02  0.608594D+02
      2   0.749045D+01  0.183111D+01  0.167243D+01  0.139409D+02 -0.279343D+02
      3  -0.145121D+02  0.850038D+00 -0.730391D+01 -0.307644D+02 -0.329251D+02
      4  -0.496612D+00  0.693083D+00 -0.155530D+00 -0.156857D+00 -0.372480D+02
      5   0.805934D+00  0.396613D+01 -0.724806D+00 -0.636187D+01 -0.138235D+02
      6   0.540441D+01  0.105582D+01  0.539525D+01  0.301737D+01  0.547266D+01
                56            57            58            59            60 
      1  -0.179175D+02 -0.821458D+01 -0.200895D+02  0.937781D+01  0.247461D+01
      2   0.414012D+01  0.695095D+01  0.596836D+01  0.441362D+01 -0.335149D+00
      3   0.137774D+02  0.126363D+01  0.141212D+02 -0.137914D+02 -0.213947D+01
      4   0.262679D+02  0.791021D+01  0.311625D+02 -0.243316D+02 -0.817806D+01
      5   0.576187D+01  0.154354D+02  0.857379D+01 -0.683316D+01 -0.999332D+01
      6  -0.380700D+01 -0.582596D+01 -0.417719D+01  0.897309D+01  0.107084D+02
                61            62            63            64            65 
      1  -0.122691D+02  0.434780D+01  0.519827D+01  0.218966D+02  0.633154D+01
      2   0.957869D+01 -0.320695D+00 -0.831966D+01 -0.917175D+01  0.737013D-02
      3   0.269039D+01 -0.402711D+01  0.312138D+01 -0.127249D+02 -0.633891D+01
      4   0.134536D+02 -0.954518D+01 -0.134996D+02  0.242715D+02  0.162359D+02
      5   0.201970D+02 -0.118867D+02 -0.190316D+02 -0.142328D+02 -0.602329D+01
      6  -0.848275D+01  0.121450D+02  0.734016D+01 -0.785037D+01 -0.415399D+01
                66            67            68            69            70 
      1  -0.749162D+01  0.815622D+00 -0.226522D+00  0.852785D+00 -0.832639D+01
      2   0.433403D+01  0.432988D+01  0.477644D+01 -0.292305D+01  0.528441D+01
      3   0.315759D+01 -0.514550D+01 -0.454991D+01  0.207026D+01  0.304197D+01
      4  -0.989687D+01  0.125005D+02  0.109046D+02 -0.531216D+01 -0.141164D+02
      5   0.113038D+02 -0.283184D+01 -0.452850D+01  0.354628D+01  0.135914D+02
      6   0.649082D+01 -0.401198D+01 -0.511060D+01  0.631712D+01  0.844941D+01
                71            72            73            74            75 
      1  -0.132343D+01  0.193695D+01  0.132005D+01  0.353267D+01  0.198366D+01
      2  -0.122441D+01 -0.388550D+01  0.106643D+00 -0.118784D+01 -0.198649D+01
      3   0.254784D+01  0.194855D+01 -0.142669D+01 -0.234484D+01  0.282722D-02
      4  -0.933091D+01  0.116030D+02  0.776450D+01  0.809439D+01  0.551968D+01
      5   0.806271D+01 -0.123318D+02  0.542810D+01  0.311230D+01  0.759912D+01
      6   0.809133D+01 -0.815765D+01  0.436162D+01  0.303464D+01  0.373379D+01
                76            77            78            79            80 
      1   0.139525D+01 -0.662896D+01 -0.444227D+01  0.274340D+01 -0.703574D+01
      2   0.779627D+00  0.835136D+01  0.493760D+01 -0.238996D+01  0.631993D+01
      3  -0.217488D+01 -0.172240D+01 -0.495326D+00 -0.353439D+00  0.715807D+00
      4   0.708732D+01  0.947322D+01  0.763516D+01  0.855460D+01  0.141752D+02
      5   0.196173D+01  0.619134D+01  0.582563D+01  0.100479D+02  0.105849D+02
      6   0.361097D+01  0.101196D+02  0.118437D+02  0.797459D+01  0.161010D+02
                81            82            83            84            85 
      1  -0.700882D+01  0.171736D+01  0.424209D+00 -0.168536D+00  0.127837D+00
      2  -0.149244D+01 -0.489047D+01 -0.103618D+01 -0.100334D+01 -0.159885D+01
      3   0.850126D+01  0.317311D+01  0.611969D+00  0.117187D+01  0.147101D+01
      4   0.147958D+02 -0.636170D+00  0.221403D+01 -0.176809D+01 -0.338259D+00
      5   0.186801D+02  0.229821D+01  0.529760D+00  0.783217D+01  0.548009D+00
      6   0.225565D+02 -0.144802D+01  0.120494D+01 -0.287541D+01  0.652528D+00
                86            87            88            89            90 
      1  -0.324587D+01  0.113152D+00 -0.149863D+01  0.322594D+01 -0.167818D+02
      2   0.325543D+01 -0.494878D+01 -0.254710D+01 -0.426286D+01 -0.143509D+02
      3  -0.956109D-02  0.483563D+01  0.404573D+01  0.103692D+01  0.311327D+02
      4  -0.785380D+00  0.106443D+01 -0.353030D+01  0.171725D+01 -0.190539D+01
      5   0.107628D+01  0.919508D+00  0.513905D+01  0.467535D-01  0.746837D+01
      6  -0.240552D+01 -0.607457D-01 -0.309341D+01  0.592918D+01 -0.232768D+02
                91            92            93            94            95 
      1  -0.238183D+01  0.147108D+01 -0.464026D+00  0.316765D+01 -0.445848D+02
      2   0.698867D+01 -0.414419D+01  0.218925D+00 -0.605960D+01  0.788502D+02
      3  -0.460684D+01  0.267311D+01  0.245101D+00  0.289195D+01 -0.342654D+02
      4  -0.219525D+01  0.116626D+02 -0.692080D+00  0.936690D+01 -0.129875D+02
      5   0.151579D+00 -0.184985D+01  0.190550D+01 -0.144102D+01  0.264890D+01
      6  -0.275574D+00  0.673107D+00 -0.906339D+00  0.142213D+01 -0.148192D+02
                96            97            98            99           100 
      1   0.511286D+01 -0.246258D+00  0.425768D+00 -0.552121D+01  0.466839D+02
      2  -0.692459D+01 -0.421213D+00  0.100891D+01  0.523493D+01 -0.193199D+02
      3   0.181173D+01  0.667470D+00 -0.143468D+01  0.286283D+00 -0.273640D+02
      4   0.129668D+01  0.571115D+00 -0.190306D+00 -0.142604D+01 -0.325969D+02
      5  -0.974002D+00  0.105885D+01 -0.790658D+00  0.624322D+00  0.329872D+01
      6   0.875955D+01 -0.146933D+01  0.985603D+01 -0.321679D+01 -0.559364D+00
               101           102           103           104           105 
      1  -0.111425D+02  0.549158D+01 -0.623669D+01  0.504323D+01 -0.881102D+00
      2   0.106774D+01 -0.222095D+01 -0.194579D+01  0.188151D+01 -0.107715D+01
      3   0.100748D+02 -0.327062D+01  0.818248D+01 -0.692474D+01  0.195825D+01
      4   0.177541D+02 -0.356198D+01  0.167918D+02 -0.105690D+02  0.225719D+01
      5  -0.468009D+00  0.692181D+01 -0.530004D+00  0.163990D+01 -0.226490D+01
      6  -0.319238D+00 -0.276800D+01  0.246201D+00 -0.850085D+00  0.345333D+01
               106           107           108           109           110 
      1   0.938223D+01 -0.282276D+01  0.343038D+01  0.165100D+01 -0.396824D+01
      2  -0.393933D+01 -0.114216D+01 -0.254269D+01 -0.150221D+01  0.239276D+01
      3  -0.544291D+01  0.396492D+01 -0.887693D+00 -0.148793D+00  0.157547D+01
      4  -0.895785D+01  0.474028D+01 -0.556572D+01 -0.346775D+01  0.288454D+01
      5   0.861787D+01 -0.394886D+01  0.313754D+01 -0.157671D+01  0.173508D+01
      6  -0.351763D+01  0.365643D+01 -0.371702D+00  0.267019D+01  0.665911D+00
               111           112           113           114           115 
      1  -0.242794D+01 -0.198304D+01 -0.742706D+01 -0.653857D+01 -0.148812D+01
      2   0.120332D+01  0.101390D+01  0.574123D+01  0.375141D+01  0.204985D+01
      3   0.122463D+01  0.969141D+00  0.168583D+01  0.278717D+01 -0.561729D+00
      4   0.221687D+01  0.464870D+01 -0.442590D+01 -0.582487D+01  0.412006D+01
      5   0.426091D+01  0.229838D+01 -0.468225D+01 -0.543447D+01  0.712203D+01
      6   0.228319D+01 -0.153828D+01  0.109458D+02  0.146534D+02 -0.353656D+01
               116           117           118           119           120 
      1  -0.823912D+01 -0.158517D+02 -0.241488D+02  0.831154D+01 -0.244633D+02
      2   0.197084D+01 -0.846400D+01  0.241522D+02 -0.432854D+01  0.711943D+01
      3   0.626828D+01  0.243157D+02 -0.339533D-02 -0.398300D+01  0.173438D+02
      4  -0.876463D+01 -0.108277D+02  0.854902D+00  0.543191D+01 -0.528058D+01
      5  -0.897929D+01 -0.204852D+02 -0.222176D+02  0.452124D+01 -0.374796D+01
      6   0.148480D+02  0.266819D+02 -0.302018D+01  0.146753D+00  0.573881D+01
               121           122           123           124           125 
      1   0.144546D+02  0.148564D+02  0.130916D+01 -0.209152D+02 -0.205207D+01
      2  -0.110050D+02 -0.349931D+02 -0.668767D+01  0.761227D+01 -0.133159D+01
      3  -0.344964D+01  0.201367D+02  0.537852D+01  0.133029D+02  0.338366D+01
      4   0.408650D+01 -0.233760D+02  0.132385D+01 -0.419709D+01  0.539086D+01
      5   0.775145D+01  0.885182D+00  0.748134D+01 -0.188372D+01  0.928092D+01
      6   0.348577D+00 -0.814410D+01  0.794910D+01  0.732395D+01  0.717089D+01
               126           127           128           129           130 
      1   0.340440D+01  0.218548D+02  0.646504D+01 -0.113360D+02  0.477787D+01
      2   0.445298D+01 -0.155059D+02 -0.398945D+01  0.101386D+02 -0.130428D+01
      3  -0.785738D+01 -0.634885D+01 -0.247559D+01  0.119737D+01 -0.347358D+01
      4   0.144249D+02  0.158197D+02  0.106054D+02 -0.829810D+01  0.118174D+02
      5   0.556018D+01 -0.228506D+02 -0.694174D+01  0.194733D+02 -0.657272D+01
      6   0.480766D+01 -0.790621D+01 -0.416492D+01  0.739143D+01 -0.547389D+01
               131           132           133           134           135 
      1   0.220587D+01 -0.121723D+01 -0.907958D+01 -0.163987D+01  0.491850D+01
      2   0.974935D-01  0.271445D+00  0.107938D+02  0.312007D+01 -0.126447D+02
      3  -0.230337D+01  0.945783D+00 -0.171425D+01 -0.148020D+01  0.772621D+01
      4   0.829605D+01 -0.697690D+01 -0.920336D+01 -0.636900D+01  0.100182D+02
      5  -0.764752D+01  0.750856D+01  0.208189D+02  0.882978D+01 -0.225367D+02
      6  -0.611589D+01  0.861346D+01  0.771201D+01  0.710446D+01 -0.103693D+02
               136           137           138           139           140 
      1  -0.190705D+00  0.196392D+01 -0.988879D+00  0.129394D+01 -0.267076D+02
      2   0.420025D+01 -0.430605D+01  0.476634D+00 -0.274859D+01  0.430885D+02
      3  -0.400955D+01  0.234213D+01  0.512245D+00  0.145466D+01 -0.163809D+02
      4  -0.233439D+01  0.103826D+02 -0.144576D+01  0.698245D+01 -0.746730D+01
      5   0.827088D+00 -0.342600D+01  0.222782D+01 -0.248558D+01  0.316747D+01
      6  -0.178910D+01  0.253582D+01 -0.120057D+01  0.279027D+01 -0.190224D+02
               141           142           143           144           145 
      1   0.549218D+01 -0.337613D+00  0.146149D+00 -0.499009D+01 -0.274791D+00
      2  -0.494131D+01 -0.523897D+00  0.237254D+01  0.201091D+01 -0.462723D+01
      3  -0.550866D+00  0.861511D+00 -0.251869D+01  0.297917D+01  0.490202D+01
      4   0.175170D+01  0.726903D-02 -0.129583D+01 -0.721267D+00  0.111006D+01
      5  -0.136754D+01  0.931821D+00 -0.419298D+00  0.711072D+00  0.312178D+01
      6   0.959681D+01 -0.838263D+00  0.707178D+01 -0.299177D+01 -0.355450D+00
               146           147           148           149           150 
      1   0.932380D+00 -0.194109D+01  0.135720D+01 -0.403077D+01 -0.482650D+01
      2  -0.251063D+00 -0.283509D+01 -0.752595D+00  0.986334D-01 -0.588896D+01
      3  -0.681317D+00  0.477618D+01 -0.604604D+00  0.393214D+01  0.107155D+02
      4   0.155644D+01 -0.188944D+01 -0.367760D+00  0.594498D-01  0.638497D+00
      5   0.457893D+00  0.930154D+01  0.149688D+01  0.953073D+00  0.201645D+01
      6   0.137046D+01 -0.205389D+01  0.771653D+00  0.157105D-01  0.374635D+01
               151           152           153           154           155 
      1   0.231509D+00  0.624954D+00 -0.280936D+02 -0.344681D+01 -0.491294D+00
      2  -0.259534D+01 -0.296022D+01 -0.221065D+02 -0.366045D+01 -0.137056D+01
      3   0.236383D+01  0.233526D+01  0.502001D+02  0.710726D+01  0.186185D+01
      4  -0.261831D+01  0.638275D+00 -0.173149D+01 -0.628168D+01 -0.252806D+01
      5   0.624166D+01  0.127151D+00  0.897242D+01 -0.213528D+01 -0.153472D+01
      6  -0.113299D+01  0.581376D+01 -0.127234D+02  0.162090D+01 -0.319229D+01
               156           157           158           159           160 
      1   0.111395D+02 -0.283918D+01 -0.447774D+01  0.920776D+00  0.100365D+02
      2   0.192747D+01  0.127537D+01  0.403395D+01  0.312792D+01  0.831839D+00
      3  -0.130670D+02  0.156381D+01  0.443796D+00 -0.404869D+01 -0.108684D+02
      4   0.348832D+01 -0.122117D+01  0.592152D+00  0.102801D+01  0.535536D+01
      5   0.384705D+00 -0.183977D+01 -0.256103D+00 -0.215704D+01  0.423557D+01
      6  -0.606478D+01 -0.143805D+01  0.595611D+00  0.117581D+01 -0.219751D+01
               161           162           163           164           165 
      1   0.549445D+00 -0.148424D+02  0.481926D+02 -0.408294D+01  0.143731D+02
      2   0.245913D+01 -0.887240D+01 -0.318189D+02  0.479027D+01 -0.129507D+02
      3  -0.300858D+01  0.237148D+02 -0.163737D+02 -0.707330D+00 -0.142239D+01
      4   0.251611D+01 -0.465572D+01  0.119235D+02  0.782155D+01  0.512122D+01
      5   0.182722D+00  0.384363D+01  0.292758D+02 -0.100905D+01  0.184341D+02
      6   0.366109D+01  0.803815D+01  0.306692D+01  0.406372D+01  0.317293D+01
               166           167           168           169           170 
      1  -0.108869D+02  0.365657D+01 -0.321819D+01  0.102952D+02 -0.174089D+00
      2   0.840367D+01 -0.107068D+00  0.416095D+01 -0.103118D+02  0.127371D+01
      3   0.248328D+01 -0.354950D+01 -0.942757D+00  0.166375D-01 -0.109963D+01
      4   0.449843D+01  0.593501D-01  0.151157D+01  0.370762D+01  0.133853D+01
      5  -0.671640D+01  0.318103D+01 -0.529046D+01  0.161116D+02 -0.165764D+01
      6   0.223096D+01 -0.362330D+00  0.611035D+00  0.200763D+01  0.174475D+01
               171           172           173           174           175 
      1   0.614099D+01  0.237772D+01  0.344178D+01  0.271588D+01  0.153157D+01
      2  -0.100293D+02  0.110839D+01 -0.124481D+01 -0.124467D+01  0.400540D+01
      3   0.388828D+01 -0.348610D+01 -0.219697D+01 -0.147121D+01 -0.553697D+01
      4   0.110037D+01  0.450328D+01  0.777084D+01  0.814975D+00  0.123765D+02
      5   0.119046D+02  0.271640D+01  0.827806D+00  0.170498D+01  0.316840D+01
      6   0.206284D+01  0.122701D+01  0.307536D-01 -0.493060D+00  0.276550D+01
               176           177           178           179           180 
      1  -0.231891D+02 -0.343311D+01  0.685425D+00 -0.762867D+00 -0.391832D+01
      2   0.502823D+02  0.281399D+01 -0.517640D+00 -0.255580D+01  0.361473D+01
      3  -0.270932D+02  0.619125D+00 -0.167785D+00  0.331867D+01  0.303589D+00
      4   0.344094D+02  0.401220D+01 -0.485964D+00 -0.162819D+01  0.187131D+01
      5   0.312058D+01  0.473995D+01  0.169479D+01  0.266415D+01 -0.350557D+00
      6   0.171832D+02  0.925559D+01  0.208733D+00  0.757655D+01  0.110760D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:23:08 2021, MaxMem= 10737418240 cpu:           11775.6 elap:             736.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13768 -10.27089 -10.20056 -10.19392 -10.19136
 Alpha  occ. eigenvalues --  -10.18936 -10.18910 -10.17961  -1.04876  -0.84897
 Alpha  occ. eigenvalues --   -0.77776  -0.73825  -0.69665  -0.62652  -0.58315
 Alpha  occ. eigenvalues --   -0.53091  -0.48545  -0.46614  -0.46177  -0.45442
 Alpha  occ. eigenvalues --   -0.43036  -0.42213  -0.40662  -0.38986  -0.37414
 Alpha  occ. eigenvalues --   -0.36543  -0.35633  -0.33230  -0.32964  -0.32672
 Alpha  occ. eigenvalues --   -0.24576
 Alpha virt. eigenvalues --   -0.03194  -0.00878   0.00116   0.00455   0.00924
 Alpha virt. eigenvalues --    0.02366   0.02791   0.02912   0.03460   0.04002
 Alpha virt. eigenvalues --    0.05590   0.05885   0.06237   0.07193   0.07340
 Alpha virt. eigenvalues --    0.08105   0.08613   0.09155   0.09352   0.09475
 Alpha virt. eigenvalues --    0.10192   0.10929   0.11124   0.11501   0.11842
 Alpha virt. eigenvalues --    0.12079   0.12302   0.12452   0.13350   0.13457
 Alpha virt. eigenvalues --    0.14113   0.14407   0.14603   0.14816   0.15570
 Alpha virt. eigenvalues --    0.15733   0.16765   0.17761   0.18689   0.18953
 Alpha virt. eigenvalues --    0.19553   0.19895   0.20998   0.21129   0.22481
 Alpha virt. eigenvalues --    0.22914   0.23059   0.24019   0.24913   0.25914
 Alpha virt. eigenvalues --    0.26595   0.27481   0.27519   0.28291   0.29076
 Alpha virt. eigenvalues --    0.29879   0.30172   0.30269   0.31499   0.32281
 Alpha virt. eigenvalues --    0.32911   0.33860   0.34315   0.34918   0.35641
 Alpha virt. eigenvalues --    0.35933   0.36289   0.36945   0.37247   0.37855
 Alpha virt. eigenvalues --    0.38649   0.39359   0.40479   0.40785   0.41493
 Alpha virt. eigenvalues --    0.41876   0.42205   0.43035   0.43562   0.43883
 Alpha virt. eigenvalues --    0.45092   0.45366   0.46629   0.46887   0.47558
 Alpha virt. eigenvalues --    0.48547   0.49382   0.50107   0.50752   0.51637
 Alpha virt. eigenvalues --    0.52809   0.54296   0.55210   0.55537   0.56214
 Alpha virt. eigenvalues --    0.57917   0.57955   0.58536   0.58949   0.59706
 Alpha virt. eigenvalues --    0.60458   0.61340   0.62048   0.63068   0.63650
 Alpha virt. eigenvalues --    0.64433   0.64871   0.66164   0.67305   0.67957
 Alpha virt. eigenvalues --    0.67978   0.68400   0.69422   0.70237   0.71043
 Alpha virt. eigenvalues --    0.72243   0.72588   0.73694   0.74037   0.74645
 Alpha virt. eigenvalues --    0.75451   0.76633   0.76646   0.77294   0.78777
 Alpha virt. eigenvalues --    0.79052   0.80537   0.81777   0.82551   0.82627
 Alpha virt. eigenvalues --    0.83701   0.84562   0.87256   0.88605   0.89597
 Alpha virt. eigenvalues --    0.90609   0.92882   0.93662   0.95372   0.95848
 Alpha virt. eigenvalues --    0.99210   1.00044   1.01337   1.02563   1.05055
 Alpha virt. eigenvalues --    1.08157   1.09429   1.11244   1.12867   1.13508
 Alpha virt. eigenvalues --    1.14355   1.15992   1.17059   1.19036   1.19520
 Alpha virt. eigenvalues --    1.21540   1.23747   1.25178   1.28542   1.29754
 Alpha virt. eigenvalues --    1.30605   1.33133   1.33695   1.36271   1.40204
 Alpha virt. eigenvalues --    1.41115   1.42242   1.43942   1.46460   1.48149
 Alpha virt. eigenvalues --    1.49558   1.51982   1.54537   1.57596   1.59285
 Alpha virt. eigenvalues --    1.60407   1.61737   1.63766   1.65548   1.66969
 Alpha virt. eigenvalues --    1.67226   1.68385   1.69643   1.70983   1.73761
 Alpha virt. eigenvalues --    1.75588   1.76324   1.77306   1.78385   1.80571
 Alpha virt. eigenvalues --    1.82097   1.83394   1.84252   1.87030   1.87252
 Alpha virt. eigenvalues --    1.88950   1.89673   1.90463   1.91799   1.92771
 Alpha virt. eigenvalues --    1.94710   1.95539   1.97408   1.99235   2.00891
 Alpha virt. eigenvalues --    2.02826   2.03871   2.05615   2.05803   2.06589
 Alpha virt. eigenvalues --    2.08601   2.11525   2.12715   2.15532   2.18111
 Alpha virt. eigenvalues --    2.19513   2.21378   2.22382   2.23984   2.24753
 Alpha virt. eigenvalues --    2.27595   2.29452   2.31044   2.32393   2.34418
 Alpha virt. eigenvalues --    2.37066   2.38544   2.41562   2.44877   2.45808
 Alpha virt. eigenvalues --    2.48509   2.49145   2.53414   2.53777   2.56445
 Alpha virt. eigenvalues --    2.57799   2.58964   2.60549   2.62265   2.66096
 Alpha virt. eigenvalues --    2.66821   2.69019   2.74800   2.76438   2.81224
 Alpha virt. eigenvalues --    2.84999   2.85522   2.89183   2.90056   2.94263
 Alpha virt. eigenvalues --    3.01181   3.04692   3.17096   3.30689   3.45948
 Alpha virt. eigenvalues --    3.46115   3.49083   3.58202   3.66857   3.77034
 Alpha virt. eigenvalues --    3.82559
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.127036  -0.517201  -0.151378   0.087242  -0.196718  -0.409570
     2  C   -0.517201   6.369384   0.247461  -0.362661  -0.348733  -0.335905
     3  C   -0.151378   0.247461   5.793470   0.367475  -0.721638  -0.202986
     4  C    0.087242  -0.362661   0.367475   5.940152  -0.497096  -0.151727
     5  C   -0.196718  -0.348733  -0.721638  -0.497096   9.826227  -0.577792
     6  C   -0.409570  -0.335905  -0.202986  -0.151727  -0.577792   6.820896
     7  O   -0.162719   0.073643   0.026402  -0.043522   0.047850   0.054216
     8  H    0.367166  -0.832898   0.163124   0.093270   0.014606   0.104006
     9  H   -0.228317   0.090792   0.115591  -0.021928  -0.048622  -0.042352
    10  H   -0.057921  -0.037233  -0.219071  -0.089066   0.039049  -0.035559
    11  H    0.073880   0.223341  -0.546295   0.113523   0.040916   0.089559
    12  H   -0.007481   0.083542   0.108217  -0.329274  -0.182087  -0.002277
    13  H   -0.086874  -0.034736  -0.036761  -0.396284   0.440936   0.080311
    14  C   -0.020775   0.138239  -0.029027  -0.143964  -0.265557  -0.189368
    15  H    0.026401   0.060806   0.117175   0.249910  -1.929180   0.350002
    16  H    0.285412   0.076516   0.074476   0.029991  -0.302789  -0.682774
    17  H   -0.312641   0.054246  -0.074807   0.010361   0.549243  -0.101642
    18  H   -0.114306  -0.005402  -0.052451  -0.035765  -0.008270  -0.009874
    19  H    0.010574  -0.017811   0.093446  -0.124435   0.225726   0.009637
    20  H    0.110541   0.034073  -0.052764   0.014665   0.171265  -0.097892
               7          8          9         10         11         12
     1  C   -0.162719   0.367166  -0.228317  -0.057921   0.073880  -0.007481
     2  C    0.073643  -0.832898   0.090792  -0.037233   0.223341   0.083542
     3  C    0.026402   0.163124   0.115591  -0.219071  -0.546295   0.108217
     4  C   -0.043522   0.093270  -0.021928  -0.089066   0.113523  -0.329274
     5  C    0.047850   0.014606  -0.048622   0.039049   0.040916  -0.182087
     6  C    0.054216   0.104006  -0.042352  -0.035559   0.089559  -0.002277
     7  O    8.627768  -0.069967   0.030329   0.002702  -0.002292   0.001319
     8  H   -0.069967   2.225888  -0.413425  -0.190833   0.009011   0.005550
     9  H    0.030329  -0.413425   1.902159   0.173515  -0.196902   0.023117
    10  H    0.002702  -0.190833   0.173515   2.471455  -0.575403  -0.142432
    11  H   -0.002292   0.009011  -0.196902  -0.575403   2.321829  -0.056105
    12  H    0.001319   0.005550   0.023117  -0.142432  -0.056105   2.496895
    13  H   -0.000078   0.008192  -0.010170   0.124778  -0.107916  -0.641313
    14  C    0.008488   0.000288  -0.009344  -0.017649   0.007865   0.128657
    15  H    0.003631  -0.010332   0.019390   0.008892   0.017188   0.000584
    16  H   -0.051653   0.006667   0.017441   0.016462  -0.002885  -0.011339
    17  H    0.023819   0.016870  -0.061798  -0.031206   0.014625   0.026930
    18  H    0.031705  -0.004131   0.002157   0.020283   0.011284  -0.023276
    19  H   -0.002372   0.003532  -0.006536  -0.033017   0.014691  -0.025952
    20  H   -0.012817   0.000434   0.003369   0.003885  -0.006028   0.042086
              13         14         15         16         17         18
     1  C   -0.086874  -0.020775   0.026401   0.285412  -0.312641  -0.114306
     2  C   -0.034736   0.138239   0.060806   0.076516   0.054246  -0.005402
     3  C   -0.036761  -0.029027   0.117175   0.074476  -0.074807  -0.052451
     4  C   -0.396284  -0.143964   0.249910   0.029991   0.010361  -0.035765
     5  C    0.440936  -0.265557  -1.929180  -0.302789   0.549243  -0.008270
     6  C    0.080311  -0.189368   0.350002  -0.682774  -0.101642  -0.009874
     7  O   -0.000078   0.008488   0.003631  -0.051653   0.023819   0.031705
     8  H    0.008192   0.000288  -0.010332   0.006667   0.016870  -0.004131
     9  H   -0.010170  -0.009344   0.019390   0.017441  -0.061798   0.002157
    10  H    0.124778  -0.017649   0.008892   0.016462  -0.031206   0.020283
    11  H   -0.107916   0.007865   0.017188  -0.002885   0.014625   0.011284
    12  H   -0.641313   0.128657   0.000584  -0.011339   0.026930  -0.023276
    13  H    2.352462  -0.074616  -0.130265   0.026217  -0.045826  -0.008505
    14  C   -0.074616   4.733385   0.157738   0.120749  -0.045578   0.365543
    15  H   -0.130265   0.157738   2.848036   0.037308  -0.154335   0.102426
    16  H    0.026217   0.120749   0.037308   2.479040  -0.564732  -0.056541
    17  H   -0.045826  -0.045578  -0.154335  -0.564732   2.062255   0.011108
    18  H   -0.008505   0.365543   0.102426  -0.056541   0.011108   1.892218
    19  H    0.031234  -0.044111  -0.069632   0.040189  -0.016047  -0.406355
    20  H   -0.020355  -0.011171  -0.082856  -0.011138   0.028281  -0.413955
              19         20
     1  C    0.010574   0.110541
     2  C   -0.017811   0.034073
     3  C    0.093446  -0.052764
     4  C   -0.124435   0.014665
     5  C    0.225726   0.171265
     6  C    0.009637  -0.097892
     7  O   -0.002372  -0.012817
     8  H    0.003532   0.000434
     9  H   -0.006536   0.003369
    10  H   -0.033017   0.003885
    11  H    0.014691  -0.006028
    12  H   -0.025952   0.042086
    13  H    0.031234  -0.020355
    14  C   -0.044111  -0.011171
    15  H   -0.069632  -0.082856
    16  H    0.040189  -0.011138
    17  H   -0.016047   0.028281
    18  H   -0.406355  -0.413955
    19  H    2.130319  -0.508322
    20  H   -0.508322   2.135802
 Mulliken charges:
               1
     1  C    0.177649
     2  C    1.040536
     3  C    0.980341
     4  C    1.289134
     5  C   -0.277334
     6  C    1.331090
     7  O   -0.586452
     8  H   -0.497017
     9  H   -0.338466
    10  H   -0.431629
    11  H   -0.443885
    12  H   -0.495362
    13  H   -0.470432
    14  C    1.190207
    15  H   -0.622886
    16  H   -0.526616
    17  H   -0.389125
    18  H   -0.297893
    19  H   -0.304758
    20  H   -0.327103
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.177649
     2  C    0.205054
     3  C    0.104826
     4  C    0.323341
     5  C   -0.900220
     6  C    0.415349
     7  O   -0.586452
    14  C    0.260453
 Electronic spatial extent (au):  <R**2>=            946.0225
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.6665    Y=              1.6888    Z=              1.2605  Tot=              3.3986
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.4064   YY=            -50.8760   ZZ=            -49.8277
   XY=              4.5679   XZ=              2.4152   YZ=             -1.2606
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.7030   YY=              1.8274   ZZ=              2.8757
   XY=              4.5679   XZ=              2.4152   YZ=             -1.2606
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.2688  YYY=             -0.7575  ZZZ=              1.0938  XYY=             -1.5413
  XXY=              9.4989  XXZ=              4.8176  XZZ=              2.6635  YZZ=              0.2412
  YYZ=              1.4100  XYZ=             -1.7409
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -649.0312 YYYY=           -457.8663 ZZZZ=           -207.7600 XXXY=             15.5578
 XXXZ=             10.4309 YYYX=              1.8244 YYYZ=             -1.1173 ZZZX=             -3.2600
 ZZZY=              0.6401 XXYY=           -189.6501 XXZZ=           -138.5403 YYZZ=           -114.6700
 XXYZ=             -6.9639 YYXZ=              0.3432 ZZXY=             -0.3106
 N-N= 3.940919510791D+02 E-N=-1.599598894568D+03  KE= 3.471066758187D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:23:09 2021, MaxMem= 10737418240 cpu:               5.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.02318643D+00 6.47982688D-01 4.83613985D-01
 Polarizability= 8.63494021D+01-1.04942373D+00 8.45156964D+01
                -1.93893247D+00 2.93358883D-01 7.33527226D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2131    1.2134       -0.7072   -0.7085
 2     -1.2131   -1.2134       -0.1432   -0.1423       -1.1328   -1.1363
 3      0.7072    0.7085        7.2916    7.2945        0.1431    0.1423
 4      0.1432    0.1423       -0.0000    0.0000        0.7072    0.7085
 5     -6.1588   -6.1582       -0.7072   -0.7085        1.2137    1.2134
 6     -0.1431   -0.1423       -1.2137   -1.2134       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.6401   -3.6401       -2.1254   -2.1254
 2      0.4269    0.4269       -0.0000    0.0000       -2.1254   -2.1254
 3      0.4269    0.4269       -3.6401   -3.6401        0.0000    0.0000
 4     -3.6401   -3.6401       -0.4269   -0.4269       -3.4090   -3.4090
 5      2.1254    2.1254       21.8835   21.8835        0.4269    0.4269
 6    -18.4745  -18.4745       -2.1254   -2.1254        3.6401    3.6401
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0395    0.0000       -4.8268   -4.8534        2.7703    2.8339
 2      4.8450    4.8534        0.5413    0.5691        4.5501    4.5453
 3     -2.8114   -2.8339      -29.1311  -29.1780       -0.5911   -0.5691
 4     -0.5870   -0.5691       -0.0167    0.0000       -2.8428   -2.8339
 5     24.6668   24.6327        2.8053    2.8339       -4.8023   -4.8534
 6      0.5979    0.5691        4.8992    4.8534        0.0003    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0169    0.0000        7.7974    7.7500        9.4849    9.5312
 2     -7.8137   -7.7500       -6.3707   -6.3641       -0.4436   -0.4137
 3     -9.5379   -9.5312        5.3054    5.3260        6.4152    6.3641
 4      6.3757    6.3641       -0.0133    0.0000       -9.4753   -9.5312
 5     -4.8957   -4.9122        9.6220    9.5312        7.6479    7.7500
 6     -6.3765   -6.3641       -7.7417   -7.7500        0.0232    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.6913    4.7360        9.9739   10.0541      -21.0266  -21.1245
 2     13.3243   13.3557       17.1966   17.2460      -21.0806  -21.1245
 3     13.3060   13.3557        9.9512   10.0541      -28.5574  -28.6337
 4     -7.2494   -7.1919       -8.6482   -8.6196        6.2412    6.2657
 5     -7.5069   -7.5092        4.7771    4.7713        8.5938    8.6196
 6    -11.0907  -11.0370        7.4883    7.5092        7.0599    7.1919
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.1152  -11.0020   -7.4575    0.0002    0.0010    0.0011
 Low frequencies ---   86.3683  126.1967  213.8602
 Diagonal vibrational polarizability:
        7.5773632       4.4543364       9.6209149
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     86.3617               126.1928               213.8600
 Red. masses --      4.6602                 2.6340                 1.1260
 Frc consts  --      0.0205                 0.0247                 0.0303
 IR Inten    --      3.5816                 0.6269                 0.3389
 RamAct Fr= 1--      0.9129                 0.4867                 0.1426
  Dep-P Fr= 1--      0.7016                 0.6654                 0.4649
  Dep-U Fr= 1--      0.8246                 0.7991                 0.6347
 Alpha2 Fr= 1--      0.0008                 0.0007                 0.0008
 Beta2  Fr= 1--      0.1255                 0.0648                 0.0151
 AlphaG Fr= 1--     -0.0005                 0.0003                -0.0030
 Gamma2 Fr= 1--      0.0731                -0.1231                -0.0876
 Delta2 Fr= 1--      0.0331                -0.0078                -0.0054
 Raman1 Fr= 1--       3.651                  1.947                  0.570
 ROA1   Fr= 1--       8.080                -12.068                 -8.582
 CID1   Fr= 1--       2.213                 -6.199                -15.049
 Raman2 Fr= 1--       1.506                  0.778                  0.181
 ROA2   Fr= 1--       1.490                 -2.893                 -2.059
 CID2   Fr= 1--       0.990                 -3.719                -11.378
 Raman3 Fr= 1--       3.011                  1.556                  0.362
 ROA3   Fr= 1--       8.080                -12.068                 -8.582
 CID3   Fr= 1--       2.683                 -7.758                -23.709
 RC180  Fr= 1--       0.649                  0.598                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.04    -0.04  -0.03  -0.02     0.01  -0.01  -0.01
     2   6    -0.04  -0.03  -0.17    -0.04  -0.04  -0.19     0.02  -0.01  -0.02
     3   6    -0.07  -0.02  -0.02    -0.10   0.04   0.05     0.02   0.04   0.04
     4   6     0.02  -0.00   0.09    -0.02  -0.01   0.11    -0.02  -0.00  -0.03
     5   6    -0.03  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00  -0.02
     6   6    -0.01  -0.09  -0.16    -0.01   0.04   0.08    -0.00   0.03  -0.00
     7   8     0.27   0.04   0.26    -0.04  -0.09   0.05     0.01  -0.03   0.02
     8   1    -0.09  -0.07  -0.25    -0.15  -0.15  -0.36    -0.00  -0.02  -0.05
     9   1     0.08   0.02  -0.21     0.19   0.04  -0.27     0.09  -0.02  -0.02
    10   1    -0.19  -0.02  -0.01    -0.25   0.15   0.04     0.01   0.15   0.02
    11   1    -0.05  -0.02  -0.02    -0.05   0.04   0.17     0.03   0.04   0.14
    12   1    -0.02   0.06   0.24    -0.05   0.01   0.20    -0.00  -0.01  -0.09
    13   1     0.17  -0.05   0.10     0.05  -0.08   0.13    -0.10  -0.01  -0.02
    14   6    -0.21   0.09  -0.00     0.20   0.09  -0.09    -0.02  -0.03   0.00
    15   1     0.03  -0.02   0.05    -0.04  -0.09  -0.10     0.01  -0.01  -0.00
    16   1    -0.02  -0.08  -0.30     0.01   0.04   0.19     0.00   0.03   0.06
    17   1     0.06  -0.24  -0.12    -0.02   0.16   0.05    -0.01   0.09  -0.02
    18   1    -0.27   0.09  -0.06     0.30   0.14   0.03    -0.34   0.39  -0.15
    19   1    -0.22   0.18   0.11     0.24   0.11  -0.21    -0.25  -0.45   0.28
    20   1    -0.28   0.09  -0.06     0.20   0.08  -0.17     0.50  -0.04  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.5604               345.1455               364.4974
 Red. masses --      1.8583                 2.6156                 2.0499
 Frc consts  --      0.0761                 0.1836                 0.1605
 IR Inten    --      0.1709                 0.5992                 0.3745
 RamAct Fr= 1--      0.4557                 0.7237                 0.5734
  Dep-P Fr= 1--      0.2589                 0.6835                 0.6763
  Dep-U Fr= 1--      0.4113                 0.8120                 0.8069
 Alpha2 Fr= 1--      0.0053                 0.0008                 0.0007
 Beta2  Fr= 1--      0.0312                 0.0979                 0.0771
 AlphaG Fr= 1--      0.0033                -0.0022                -0.0029
 Gamma2 Fr= 1--      0.0850                -0.1600                 0.2056
 Delta2 Fr= 1--     -0.0143                -0.1120                -0.0004
 Raman1 Fr= 1--       1.823                  2.895                  2.294
 ROA1   Fr= 1--       7.700                -18.942                 19.729
 CID1   Fr= 1--       4.224                 -6.543                  8.602
 Raman2 Fr= 1--       0.375                  1.175                  0.925
 ROA2   Fr= 1--       2.153                 -2.944                  4.938
 CID2   Fr= 1--       5.745                 -2.505                  5.337
 Raman3 Fr= 1--       0.750                  2.351                  1.851
 ROA3   Fr= 1--       7.700                -18.942                 19.729
 CID3   Fr= 1--      10.271                 -8.058                 10.661
 RC180  Fr= 1--      -0.177                  0.624                  0.614
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.05    -0.03  -0.10  -0.09    -0.08   0.04   0.03
     2   6    -0.04  -0.00   0.04    -0.11  -0.09   0.03     0.00   0.04  -0.02
     3   6    -0.03  -0.14  -0.13    -0.04   0.05  -0.02     0.03   0.05  -0.04
     4   6     0.03  -0.00   0.04    -0.09   0.11  -0.05     0.13   0.05   0.08
     5   6     0.02  -0.00   0.04    -0.00   0.10   0.10    -0.03   0.02  -0.03
     6   6     0.01  -0.03   0.04    -0.01  -0.09  -0.07    -0.08  -0.08  -0.06
     7   8    -0.03   0.02  -0.02     0.09  -0.01  -0.01    -0.07   0.05   0.03
     8   1     0.02   0.02   0.12    -0.02   0.03   0.19     0.04  -0.07  -0.04
     9   1    -0.21   0.05   0.05    -0.22  -0.25   0.13     0.01   0.10  -0.05
    10   1     0.00  -0.40  -0.06    -0.04   0.12  -0.04    -0.02  -0.01  -0.02
    11   1    -0.07  -0.14  -0.39     0.07   0.06   0.03     0.02   0.05  -0.09
    12   1    -0.00   0.00   0.15    -0.08  -0.03  -0.19     0.08   0.22   0.36
    13   1     0.19   0.05   0.01    -0.23   0.25  -0.10     0.42  -0.09   0.11
    14   6     0.03   0.15  -0.03     0.15   0.03   0.11     0.07  -0.13   0.01
    15   1     0.00  -0.04   0.00    -0.01   0.12   0.10    -0.08   0.08  -0.05
    16   1     0.01  -0.03  -0.01    -0.19  -0.11  -0.26    -0.08  -0.07  -0.31
    17   1     0.01  -0.08   0.05     0.21  -0.29  -0.04    -0.07  -0.31   0.00
    18   1    -0.13   0.48  -0.06     0.21   0.09   0.19     0.05  -0.11   0.00
    19   1    -0.08  -0.02   0.14     0.15  -0.11  -0.03     0.02  -0.37  -0.07
    20   1     0.31   0.13  -0.25     0.29   0.04   0.16     0.28  -0.12   0.17
                      7                      8                      9
                      A                      A                      A
 Frequencies --    429.2549               465.2393               495.8876
 Red. masses --      2.3132                 2.0027                 3.8020
 Frc consts  --      0.2511                 0.2554                 0.5508
 IR Inten    --      1.0580                 1.6239                 9.7984
 RamAct Fr= 1--      1.0513                 0.5690                 0.9646
  Dep-P Fr= 1--      0.6607                 0.6967                 0.7217
  Dep-U Fr= 1--      0.7957                 0.8212                 0.8383
 Alpha2 Fr= 1--      0.0017                 0.0005                 0.0005
 Beta2  Fr= 1--      0.1394                 0.0779                 0.1348
 AlphaG Fr= 1--     -0.0018                 0.0052                -0.0083
 Gamma2 Fr= 1--     -0.5524                 0.3594                 0.0841
 Delta2 Fr= 1--      0.0664                -0.0031                 0.0434
 Raman1 Fr= 1--       4.205                  2.276                  3.858
 ROA1   Fr= 1--     -50.906                 34.403                  9.459
 CID1   Fr= 1--     -12.106                 15.116                  2.452
 Raman2 Fr= 1--       1.673                  0.935                  1.617
 ROA2   Fr= 1--     -13.789                  8.650                  1.670
 CID2   Fr= 1--      -8.242                  9.256                  1.032
 Raman3 Fr= 1--       3.346                  1.869                  3.235
 ROA3   Fr= 1--     -50.906                 34.403                  9.459
 CID3   Fr= 1--     -15.214                 18.407                  2.924
 RC180  Fr= 1--       0.591                  0.642                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.11     0.03   0.07   0.02    -0.04  -0.10   0.05
     2   6     0.01  -0.02   0.07     0.14   0.05  -0.03     0.01  -0.18  -0.04
     3   6    -0.02  -0.10   0.04     0.04  -0.12   0.08     0.08  -0.06   0.03
     4   6    -0.04   0.06   0.12    -0.10  -0.01   0.01     0.01   0.04  -0.00
     5   6    -0.08   0.06  -0.05    -0.10   0.01   0.06    -0.11   0.02  -0.01
     6   6    -0.04   0.16  -0.07    -0.05   0.01  -0.09    -0.11  -0.05   0.15
     7   8     0.09  -0.06  -0.01    -0.03   0.01  -0.01     0.13   0.27  -0.12
     8   1     0.02   0.21   0.20    -0.03  -0.08  -0.30    -0.04  -0.44  -0.22
     9   1    -0.13  -0.18   0.17     0.39   0.21  -0.16     0.25  -0.05  -0.15
    10   1    -0.04  -0.32   0.10     0.07  -0.30   0.12     0.04  -0.02   0.03
    11   1     0.00  -0.09  -0.20    -0.02  -0.12  -0.13     0.19  -0.05   0.05
    12   1    -0.04   0.23   0.25    -0.01  -0.02  -0.26     0.05   0.14  -0.03
    13   1     0.14  -0.07   0.15    -0.33   0.08  -0.00     0.01   0.01   0.01
    14   6     0.02  -0.06  -0.03     0.04   0.02   0.03    -0.02  -0.02  -0.02
    15   1    -0.03  -0.02  -0.04    -0.06  -0.06   0.06    -0.18   0.07  -0.05
    16   1    -0.07   0.15   0.22    -0.04   0.02  -0.34    -0.21  -0.07   0.44
    17   1    -0.01   0.43  -0.16     0.01  -0.24  -0.01    -0.15   0.23   0.07
    18   1     0.06  -0.13  -0.01     0.13   0.08   0.14     0.01   0.01   0.02
    19   1     0.01  -0.20  -0.15     0.07  -0.04  -0.10    -0.01  -0.08  -0.09
    20   1     0.10  -0.05   0.13     0.12   0.02   0.01     0.04  -0.01  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    558.5884               678.9745               750.2405
 Red. masses --      3.0234                 2.8180                 2.4778
 Frc consts  --      0.5558                 0.7654                 0.8217
 IR Inten    --      1.5593                 1.9343                 3.9991
 RamAct Fr= 1--      1.7007                10.9237                13.2303
  Dep-P Fr= 1--      0.1282                 0.0317                 0.0562
  Dep-U Fr= 1--      0.2272                 0.0615                 0.1064
 Alpha2 Fr= 1--      0.0278                 0.2253                 0.2575
 Beta2  Fr= 1--      0.0644                 0.1119                 0.2346
 AlphaG Fr= 1--      0.0312                -0.1071                 0.1172
 Gamma2 Fr= 1--     -0.1119                 0.5257                 0.0275
 Delta2 Fr= 1--      0.1695                 0.1778                -0.7730
 Raman1 Fr= 1--       6.803                 43.695                 52.921
 ROA1   Fr= 1--      -5.321                 56.160                -22.095
 CID1   Fr= 1--      -0.782                  1.285                 -0.418
 Raman2 Fr= 1--       0.773                  1.343                  2.815
 ROA2   Fr= 1--      -4.043                 11.195                  6.845
 CID2   Fr= 1--      -5.231                  8.338                  2.431
 Raman3 Fr= 1--       1.546                  2.685                  5.630
 ROA3   Fr= 1--      -5.321                 56.160                -22.095
 CID3   Fr= 1--      -3.442                 20.914                 -3.924
 RC180  Fr= 1--      -0.546                 -0.877                 -0.787
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.04   0.18     0.22  -0.01   0.10    -0.04  -0.06  -0.10
     2   6    -0.05  -0.03   0.02     0.05   0.09  -0.01     0.03   0.16   0.01
     3   6    -0.10   0.00   0.04    -0.06   0.05  -0.09     0.01   0.14  -0.01
     4   6    -0.10   0.14   0.05    -0.03  -0.03  -0.03    -0.01   0.10   0.05
     5   6     0.12   0.14  -0.14    -0.18  -0.03   0.05    -0.03  -0.08   0.06
     6   6     0.08  -0.05   0.04    -0.06  -0.02   0.07     0.01  -0.15   0.10
     7   8     0.00  -0.05  -0.07     0.09  -0.08  -0.10     0.05  -0.04   0.00
     8   1    -0.18  -0.13  -0.19     0.06   0.22   0.07     0.02   0.11  -0.04
     9   1     0.11   0.22  -0.12    -0.17   0.21  -0.02     0.19   0.07   0.02
    10   1    -0.16  -0.21   0.10    -0.05   0.38  -0.17     0.06  -0.37   0.12
    11   1     0.04   0.02  -0.21    -0.07   0.04   0.27    -0.14   0.15  -0.54
    12   1    -0.12   0.05   0.02    -0.08   0.16   0.24     0.02  -0.03  -0.14
    13   1    -0.17   0.08   0.08     0.27  -0.07  -0.04    -0.24   0.16   0.05
    14   6    -0.03  -0.05  -0.07    -0.03  -0.01   0.01    -0.03  -0.05  -0.07
    15   1     0.13   0.04  -0.17    -0.18   0.02   0.08    -0.12  -0.02  -0.00
    16   1    -0.08  -0.06  -0.16    -0.11  -0.03  -0.03     0.05  -0.16   0.32
    17   1    -0.10  -0.27   0.14    -0.16  -0.18   0.13     0.10   0.09   0.01
    18   1    -0.19  -0.28  -0.29     0.14   0.16   0.22    -0.00   0.03  -0.02
    19   1    -0.10  -0.13   0.08     0.03  -0.05  -0.21    -0.01  -0.02  -0.09
    20   1    -0.06  -0.02   0.23     0.07  -0.02  -0.12    -0.03  -0.06  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    789.9725               828.1998               880.9450
 Red. masses --      2.3025                 1.7943                 2.3549
 Frc consts  --      0.8466                 0.7251                 1.0768
 IR Inten    --      2.8254                 1.1431                 1.8895
 RamAct Fr= 1--      2.7370                 0.7179                 3.3557
  Dep-P Fr= 1--      0.0996                 0.6336                 0.4310
  Dep-U Fr= 1--      0.1811                 0.7757                 0.6023
 Alpha2 Fr= 1--      0.0480                 0.0015                 0.0222
 Beta2  Fr= 1--      0.0826                 0.0928                 0.3369
 AlphaG Fr= 1--      0.0890                -0.0083                -0.0507
 Gamma2 Fr= 1--      0.5891                 0.3248                -1.3094
 Delta2 Fr= 1--      0.3361                 0.2800                -0.8348
 Raman1 Fr= 1--      10.948                  2.872                 13.423
 ROA1   Fr= 1--      67.311                 40.137               -152.411
 CID1   Fr= 1--       6.148                 13.978                -11.355
 Raman2 Fr= 1--       0.991                  1.114                  4.043
 ROA2   Fr= 1--      11.450                  5.555                -24.746
 CID2   Fr= 1--      11.550                  4.987                 -6.121
 Raman3 Fr= 1--       1.983                  2.228                  8.085
 ROA3   Fr= 1--      67.311                 40.137               -152.411
 CID3   Fr= 1--      33.951                 18.019                -18.851
 RC180  Fr= 1--      -0.638                  0.551                  0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.09  -0.00     0.02   0.03  -0.07    -0.01  -0.01   0.02
     2   6     0.02  -0.11  -0.07     0.01   0.05  -0.11     0.18  -0.04  -0.03
     3   6     0.06  -0.01  -0.03     0.01  -0.06   0.06    -0.01   0.10  -0.12
     4   6    -0.07   0.11   0.07     0.08  -0.05   0.03    -0.15  -0.04   0.10
     5   6    -0.06  -0.06   0.08     0.02   0.06  -0.02     0.07  -0.05  -0.03
     6   6     0.13   0.05   0.07    -0.09  -0.01   0.14    -0.10   0.02  -0.02
     7   8    -0.04   0.03   0.03     0.03  -0.00  -0.01     0.00   0.03  -0.01
     8   1     0.18   0.04   0.19     0.09   0.39   0.16     0.47  -0.12   0.24
     9   1    -0.26  -0.29   0.07    -0.28  -0.21   0.07    -0.09  -0.13   0.07
    10   1    -0.09   0.10  -0.04    -0.16  -0.05   0.08    -0.11   0.04  -0.09
    11   1     0.32   0.00   0.06    -0.08  -0.07   0.10     0.06   0.11  -0.17
    12   1    -0.02   0.19  -0.02     0.17  -0.11  -0.27    -0.22  -0.20   0.18
    13   1    -0.09   0.18   0.04    -0.22   0.01   0.03    -0.14  -0.09   0.12
    14   6    -0.05  -0.08  -0.12     0.01   0.02  -0.02     0.06   0.02   0.06
    15   1    -0.01  -0.16   0.07    -0.18   0.10  -0.19     0.08  -0.28  -0.12
    16   1     0.30   0.08  -0.28    -0.16  -0.01  -0.15    -0.17   0.01  -0.01
    17   1     0.19  -0.26   0.15    -0.10  -0.30   0.22    -0.21  -0.00  -0.00
    18   1     0.00   0.02  -0.04    -0.11  -0.15  -0.19    -0.10  -0.07  -0.12
    19   1    -0.02  -0.04  -0.18    -0.05  -0.05   0.11    -0.00   0.12   0.31
    20   1    -0.05  -0.09  -0.26    -0.02   0.04   0.20    -0.09   0.03   0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.6595               958.3398               977.1135
 Red. masses --      1.5218                 1.7974                 2.2628
 Frc consts  --      0.7306                 0.9726                 1.2729
 IR Inten    --      1.8227                 0.6385                 1.5698
 RamAct Fr= 1--      0.6334                 3.7913                 4.5417
  Dep-P Fr= 1--      0.3833                 0.3427                 0.5822
  Dep-U Fr= 1--      0.5542                 0.5105                 0.7360
 Alpha2 Fr= 1--      0.0050                 0.0341                 0.0143
 Beta2  Fr= 1--      0.0585                 0.3226                 0.5571
 AlphaG Fr= 1--      0.0073                -0.0793                -0.0880
 Gamma2 Fr= 1--      0.0536                 1.8999                 1.0808
 Delta2 Fr= 1--      0.5432                 1.3487                -0.6559
 Raman1 Fr= 1--       2.533                 15.165                 18.167
 ROA1   Fr= 1--      22.525                225.551                 82.768
 CID1   Fr= 1--       8.891                 14.873                  4.556
 Raman2 Fr= 1--       0.702                  3.871                  6.685
 ROA2   Fr= 1--      -3.061                 34.808                 31.187
 CID2   Fr= 1--      -4.360                  8.992                  4.665
 Raman3 Fr= 1--       1.404                  7.742                 13.370
 ROA3   Fr= 1--      22.525                225.551                 82.768
 CID3   Fr= 1--      16.044                 29.135                  6.191
 RC180  Fr= 1--       0.108                  0.021                  0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.09    -0.06  -0.01  -0.03    -0.02  -0.06   0.01
     2   6     0.03   0.00   0.05     0.10   0.04   0.02     0.04  -0.00   0.07
     3   6    -0.02  -0.00   0.02    -0.03  -0.06  -0.05    -0.07   0.01  -0.05
     4   6    -0.09  -0.02  -0.09    -0.05  -0.04   0.02     0.08  -0.05   0.05
     5   6     0.00   0.03  -0.01    -0.05   0.09   0.00     0.07   0.08   0.15
     6   6     0.02   0.04   0.11     0.11  -0.10   0.02    -0.07   0.11  -0.01
     7   8     0.02  -0.00   0.01    -0.02   0.02   0.03     0.02   0.00  -0.01
     8   1    -0.11  -0.00  -0.11     0.17  -0.07   0.05     0.08  -0.24  -0.01
     9   1     0.33  -0.15   0.05     0.03   0.10   0.01     0.11   0.16  -0.02
    10   1     0.29  -0.05  -0.02    -0.01   0.21  -0.12    -0.07   0.11  -0.08
    11   1    -0.10  -0.01  -0.05    -0.15  -0.08   0.27    -0.24  -0.01   0.12
    12   1    -0.18   0.18   0.35    -0.08  -0.07   0.07     0.03  -0.34  -0.07
    13   1     0.36  -0.20  -0.06     0.05   0.11  -0.05    -0.05   0.27  -0.06
    14   6     0.03  -0.01  -0.00    -0.03   0.08  -0.05    -0.03  -0.09  -0.15
    15   1    -0.09   0.04  -0.09    -0.10  -0.01  -0.10     0.12   0.09   0.21
    16   1    -0.09   0.03  -0.24     0.19  -0.10   0.20    -0.42   0.08  -0.16
    17   1     0.24  -0.28   0.18     0.25   0.14  -0.07     0.30  -0.08   0.00
    18   1    -0.10  -0.01  -0.12     0.02  -0.24  -0.11    -0.05  -0.03  -0.15
    19   1    -0.00   0.11   0.19    -0.09  -0.31  -0.24    -0.02  -0.03  -0.13
    20   1    -0.10  -0.01  -0.06     0.14   0.12   0.48    -0.05  -0.09  -0.25
                     19                     20                     21
                      A                      A                      A
 Frequencies --    982.4575              1039.0991              1066.6877
 Red. masses --      1.5626                 1.9243                 1.4816
 Frc consts  --      0.8887                 1.2242                 0.9932
 IR Inten    --      1.2206                 0.8051                 4.2558
 RamAct Fr= 1--      3.7169                 2.2671                 4.6886
  Dep-P Fr= 1--      0.6943                 0.6936                 0.6299
  Dep-U Fr= 1--      0.8195                 0.8191                 0.7729
 Alpha2 Fr= 1--      0.0036                 0.0022                 0.0102
 Beta2  Fr= 1--      0.5077                 0.3095                 0.6040
 AlphaG Fr= 1--     -0.0125                 0.0106                -0.0331
 Gamma2 Fr= 1--     -1.5668                -1.4994                 0.7895
 Delta2 Fr= 1--     -0.7374                -0.6988                 0.0732
 Raman1 Fr= 1--      14.868                  9.068                 18.755
 ROA1   Fr= 1--    -174.005               -166.302                 78.129
 CID1   Fr= 1--     -11.704                -18.338                  4.166
 Raman2 Fr= 1--       6.092                  3.714                  7.248
 ROA2   Fr= 1--     -31.703                -30.395                 18.362
 CID2   Fr= 1--      -5.204                 -8.184                  2.533
 Raman3 Fr= 1--      12.185                  7.428                 14.495
 ROA3   Fr= 1--    -174.005               -166.302                 78.129
 CID3   Fr= 1--     -14.281                -22.390                  5.390
 RC180  Fr= 1--       0.639                  0.638                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.03  -0.01   0.01    -0.01   0.02  -0.03
     2   6     0.02  -0.07  -0.01     0.15   0.00  -0.03    -0.00   0.03  -0.04
     3   6    -0.05   0.11   0.02    -0.13  -0.08   0.06     0.06  -0.04   0.01
     4   6     0.04  -0.09  -0.02     0.00   0.08  -0.07    -0.08  -0.00   0.01
     5   6    -0.03   0.04  -0.04     0.05   0.04  -0.05     0.13   0.04   0.01
     6   6     0.06   0.04   0.02     0.02  -0.07  -0.01    -0.04  -0.04   0.02
     7   8    -0.00   0.01  -0.00    -0.03   0.03   0.02    -0.01   0.01   0.01
     8   1     0.15  -0.14   0.09     0.27   0.07   0.14    -0.12   0.29  -0.05
     9   1     0.10  -0.32   0.08    -0.10  -0.07   0.05     0.02  -0.12   0.02
    10   1    -0.05  -0.26   0.11    -0.37  -0.01   0.08     0.25   0.06  -0.05
    11   1    -0.20   0.11  -0.34    -0.26  -0.09   0.15     0.22  -0.03   0.04
    12   1     0.00  -0.21  -0.00     0.03   0.26  -0.01    -0.20  -0.19   0.21
    13   1    -0.09  -0.26   0.06     0.07  -0.07  -0.02     0.09   0.04  -0.02
    14   6    -0.07   0.03   0.02     0.00  -0.07   0.04    -0.08  -0.01  -0.02
    15   1     0.01   0.25   0.10     0.08   0.32   0.11     0.35   0.06   0.24
    16   1     0.14   0.06  -0.13    -0.03  -0.08   0.16    -0.20  -0.07   0.11
    17   1    -0.07  -0.10   0.08     0.02   0.10  -0.07    -0.33  -0.01   0.05
    18   1     0.16   0.08   0.25     0.03   0.23   0.16     0.14   0.07   0.20
    19   1     0.00  -0.15  -0.35     0.08   0.20   0.05     0.01  -0.12  -0.36
    20   1     0.18   0.03   0.05    -0.06  -0.10  -0.41     0.15  -0.01  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1077.9072              1127.5831              1148.2491
 Red. masses --      1.5424                 1.2484                 2.1498
 Frc consts  --      1.0558                 0.9352                 1.6700
 IR Inten    --      5.6606                17.5679                 0.6188
 RamAct Fr= 1--      0.5824                 3.5711                 2.9463
  Dep-P Fr= 1--      0.4425                 0.6890                 0.7349
  Dep-U Fr= 1--      0.6136                 0.8158                 0.8472
 Alpha2 Fr= 1--      0.0037                 0.0038                 0.0008
 Beta2  Fr= 1--      0.0596                 0.4856                 0.4160
 AlphaG Fr= 1--      0.0296                 0.0403                -0.0013
 Gamma2 Fr= 1--     -0.3130                 0.4144                -0.2264
 Delta2 Fr= 1--     -0.1845                 0.3293                 0.0037
 Raman1 Fr= 1--       2.330                 14.284                 11.785
 ROA1   Fr= 1--     -35.950                 50.318                -21.612
 CID1   Fr= 1--     -15.432                  3.523                 -1.834
 Raman2 Fr= 1--       0.715                  5.827                  4.992
 ROA2   Fr= 1--      -6.035                  7.311                 -5.462
 CID2   Fr= 1--      -8.445                  1.255                 -1.094
 Raman3 Fr= 1--       1.429                 11.654                  9.984
 ROA3   Fr= 1--     -35.950                 50.318                -21.612
 CID3   Fr= 1--     -25.152                  4.318                 -2.165
 RC180  Fr= 1--       0.227                  0.632                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.02     0.04   0.08  -0.03     0.07   0.01   0.13
     2   6     0.04  -0.06   0.04     0.02  -0.05   0.04    -0.02  -0.02  -0.13
     3   6    -0.12  -0.01   0.00    -0.03  -0.00  -0.02     0.03   0.05   0.08
     4   6     0.06   0.08  -0.02     0.01  -0.01   0.02    -0.03  -0.05  -0.07
     5   6     0.02  -0.08   0.03    -0.01   0.04   0.01    -0.03   0.05   0.14
     6   6    -0.05  -0.01  -0.01    -0.04  -0.04  -0.01    -0.01  -0.05  -0.10
     7   8     0.00  -0.00  -0.00    -0.01  -0.01   0.01    -0.05   0.02  -0.00
     8   1    -0.09   0.04  -0.06    -0.13   0.06  -0.08     0.04   0.28   0.09
     9   1     0.33  -0.36   0.11     0.03   0.08  -0.02    -0.06  -0.39   0.05
    10   1     0.08   0.03  -0.04    -0.06   0.03  -0.03     0.25  -0.18   0.11
    11   1    -0.21  -0.01   0.06     0.45   0.03  -0.03    -0.14   0.05  -0.17
    12   1     0.01  -0.08  -0.02    -0.17  -0.44   0.14    -0.09  -0.00   0.17
    13   1     0.16   0.48  -0.18    -0.08  -0.07   0.05     0.19  -0.01  -0.09
    14   6     0.01   0.03  -0.01     0.02  -0.03  -0.00     0.06   0.00  -0.08
    15   1    -0.03  -0.13  -0.04    -0.36   0.48  -0.11    -0.07   0.07   0.11
    16   1     0.27   0.03  -0.00     0.23  -0.01   0.07    -0.12  -0.07   0.24
    17   1    -0.45  -0.01   0.04     0.09   0.09  -0.06     0.23   0.21  -0.19
    18   1    -0.01  -0.10  -0.06    -0.05   0.05  -0.04    -0.13  -0.15  -0.30
    19   1    -0.03  -0.07   0.01     0.02   0.08   0.09    -0.04  -0.02   0.17
    20   1     0.02   0.03   0.14    -0.06  -0.04  -0.12    -0.11   0.01   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1199.4517              1246.9655              1249.8704
 Red. masses --      1.7195                 1.7890                 1.2696
 Frc consts  --      1.4575                 1.6390                 1.1686
 IR Inten    --      2.9749                23.0858                 7.0828
 RamAct Fr= 1--      2.8334                 3.4893                 8.5505
  Dep-P Fr= 1--      0.7190                 0.6513                 0.6099
  Dep-U Fr= 1--      0.8366                 0.7888                 0.7577
 Alpha2 Fr= 1--      0.0015                 0.0062                 0.0220
 Beta2  Fr= 1--      0.3951                 0.4587                 1.0798
 AlphaG Fr= 1--      0.0108                 0.0251                 0.0276
 Gamma2 Fr= 1--      3.1320                -0.6038                 2.5204
 Delta2 Fr= 1--      0.5826                -0.4921                -0.4155
 Raman1 Fr= 1--      11.334                 13.957                 34.202
 ROA1   Fr= 1--     319.319                -73.712                228.665
 CID1   Fr= 1--      28.175                 -5.281                  6.686
 Raman2 Fr= 1--       4.741                  5.505                 12.957
 ROA2   Fr= 1--      70.508                -10.554                 63.814
 CID2   Fr= 1--      14.873                 -1.917                  4.925
 Raman3 Fr= 1--       9.481                 11.010                 25.915
 ROA3   Fr= 1--     319.319                -73.712                228.665
 CID3   Fr= 1--      33.679                 -6.695                  8.824
 RC180  Fr= 1--       0.673                  0.578                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.03     0.08   0.18  -0.09     0.05   0.05   0.03
     2   6    -0.05   0.04  -0.03    -0.06  -0.02   0.04     0.01  -0.02   0.01
     3   6     0.06  -0.02  -0.07     0.01   0.01  -0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.03   0.12    -0.02  -0.04   0.01     0.03   0.01   0.03
     5   6    -0.06   0.11  -0.07     0.00   0.04   0.06     0.01  -0.03  -0.07
     6   6     0.06  -0.02  -0.02     0.03  -0.07   0.00    -0.00  -0.01   0.01
     7   8    -0.00  -0.00  -0.00    -0.01  -0.03   0.01    -0.04   0.02   0.02
     8   1     0.01  -0.04   0.01     0.16  -0.49   0.04    -0.16   0.22  -0.06
     9   1     0.21  -0.31   0.07     0.14  -0.07   0.02     0.23  -0.27   0.07
    10   1     0.42   0.13  -0.16    -0.11   0.01  -0.02     0.01   0.06  -0.07
    11   1    -0.43  -0.06   0.15     0.01   0.00   0.02     0.11   0.01  -0.00
    12   1     0.02  -0.12  -0.06     0.15   0.37  -0.13     0.08   0.01  -0.11
    13   1    -0.14   0.20   0.04    -0.09  -0.25   0.09    -0.05   0.04   0.02
    14   6     0.03  -0.08   0.04     0.02   0.00  -0.03    -0.04   0.00   0.04
    15   1    -0.08   0.10  -0.10     0.09   0.04   0.15    -0.06  -0.25  -0.23
    16   1     0.11  -0.01   0.01    -0.41  -0.13   0.22    -0.48  -0.07   0.11
    17   1    -0.20   0.03   0.00    -0.28   0.02   0.02     0.54   0.03  -0.07
    18   1    -0.06   0.19   0.04    -0.05  -0.06  -0.11     0.08   0.06   0.17
    19   1     0.08   0.21   0.14    -0.01  -0.02   0.03     0.01   0.00  -0.08
    20   1    -0.11  -0.09  -0.25    -0.04  -0.00  -0.02     0.07  -0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1279.4185              1309.6035              1341.5270
 Red. masses --      1.3875                 1.4698                 1.4927
 Frc consts  --      1.3382                 1.4853                 1.5828
 IR Inten    --      4.3570                 3.4092                12.5371
 RamAct Fr= 1--      3.7860                 4.7896                 4.0232
  Dep-P Fr= 1--      0.6495                 0.7417                 0.7384
  Dep-U Fr= 1--      0.7875                 0.8517                 0.8495
 Alpha2 Fr= 1--      0.0068                 0.0007                 0.0008
 Beta2  Fr= 1--      0.4969                 0.6799                 0.5696
 AlphaG Fr= 1--      0.0347                -0.0048                -0.0022
 Gamma2 Fr= 1--     -3.7038                 0.3293                -1.3361
 Delta2 Fr= 1--     -0.7512                 0.8919                -0.5668
 Raman1 Fr= 1--      15.144                 19.158                 16.093
 ROA1   Fr= 1--    -379.608                 60.153               -146.405
 CID1   Fr= 1--     -25.067                  3.140                 -9.098
 Raman2 Fr= 1--       5.963                  8.159                  6.836
 ROA2   Fr= 1--     -82.882                  0.767                -27.533
 CID2   Fr= 1--     -13.900                  0.094                 -4.028
 Raman3 Fr= 1--      11.926                 16.317                 13.671
 ROA3   Fr= 1--    -379.608                 60.153               -146.405
 CID3   Fr= 1--     -31.831                  3.686                -10.709
 RC180  Fr= 1--       0.575                  0.703                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.07   0.02     0.02  -0.01   0.04    -0.01  -0.05   0.04
     2   6     0.05  -0.00   0.04    -0.03   0.02   0.01    -0.08   0.15  -0.02
     3   6    -0.02   0.01  -0.07     0.03  -0.03  -0.07     0.04  -0.06   0.01
     4   6     0.03  -0.02   0.00    -0.04   0.04   0.02     0.00   0.04  -0.03
     5   6    -0.08   0.04   0.03     0.09  -0.04   0.03    -0.02  -0.04  -0.00
     6   6     0.06   0.00  -0.01    -0.13  -0.00   0.00     0.03   0.03  -0.02
     7   8    -0.01   0.02   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   1    -0.32   0.45  -0.14    -0.04   0.01  -0.01     0.27  -0.28   0.14
     9   1     0.24  -0.15   0.07     0.22  -0.22   0.06     0.38  -0.40   0.13
    10   1    -0.28   0.08  -0.06    -0.01   0.12  -0.10    -0.47   0.03   0.06
    11   1     0.24   0.02  -0.03    -0.21  -0.05   0.09     0.28  -0.04   0.04
    12   1     0.10   0.08  -0.10     0.09   0.30  -0.10    -0.15  -0.28   0.11
    13   1    -0.15  -0.25   0.10    -0.19  -0.40   0.20     0.10   0.04  -0.05
    14   6     0.05   0.00  -0.03    -0.02   0.02  -0.02     0.00   0.01   0.00
    15   1     0.24  -0.04   0.30     0.02   0.25   0.10    -0.10   0.07  -0.03
    16   1    -0.03  -0.01  -0.01     0.47   0.07  -0.03    -0.10   0.02  -0.02
    17   1    -0.28  -0.02   0.04     0.30   0.02  -0.05    -0.02  -0.03   0.01
    18   1    -0.08  -0.04  -0.15     0.05  -0.08  -0.00     0.01  -0.03  -0.00
    19   1    -0.01   0.00   0.12    -0.03  -0.06  -0.05    -0.02  -0.04   0.01
    20   1    -0.10   0.01   0.03     0.08   0.03   0.06    -0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1360.5266              1373.9865              1382.6947
 Red. masses --      1.5157                 1.3965                 1.4384
 Frc consts  --      1.6531                 1.5533                 1.6203
 IR Inten    --      5.5469                 0.9055                 2.5925
 RamAct Fr= 1--      4.3018                 0.9466                 1.5576
  Dep-P Fr= 1--      0.6912                 0.7469                 0.7345
  Dep-U Fr= 1--      0.8174                 0.8551                 0.8469
 Alpha2 Fr= 1--      0.0044                 0.0000                 0.0004
 Beta2  Fr= 1--      0.5861                 0.1349                 0.2199
 AlphaG Fr= 1--     -0.0046                 0.0002                 0.0046
 Gamma2 Fr= 1--     -1.0637                 1.1787                 0.8426
 Delta2 Fr= 1--     -0.1877                 1.0804                 0.1146
 Raman1 Fr= 1--      17.207                  3.786                  6.230
 ROA1   Fr= 1--    -108.126                147.726                 84.558
 CID1   Fr= 1--      -6.284                 39.015                 13.572
 Raman2 Fr= 1--       7.033                  1.619                  2.638
 ROA2   Fr= 1--     -24.028                 19.645                 19.307
 CID2   Fr= 1--      -3.417                 12.135                  7.318
 Raman3 Fr= 1--      14.066                  3.238                  5.277
 ROA3   Fr= 1--    -108.126                147.726                 84.558
 CID3   Fr= 1--      -7.687                 45.626                 16.025
 RC180  Fr= 1--       0.635                  0.710                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.01    -0.00  -0.00   0.01     0.03   0.06  -0.02
     2   6     0.01   0.02  -0.03    -0.01   0.05  -0.02    -0.01  -0.01  -0.00
     3   6    -0.08  -0.04   0.01    -0.10   0.01   0.03     0.02  -0.02   0.01
     4   6     0.03   0.07   0.03    -0.01  -0.10   0.03     0.06   0.09  -0.04
     5   6    -0.03  -0.14  -0.04    -0.02   0.04  -0.05    -0.09   0.03  -0.06
     6   6     0.06   0.04  -0.01    -0.06  -0.02   0.03    -0.06  -0.03   0.04
     7   8    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.00  -0.01  -0.00
     8   1     0.11  -0.08   0.02     0.17  -0.14   0.08     0.04  -0.12   0.00
     9   1    -0.10   0.01  -0.00     0.07  -0.06   0.02    -0.05   0.01  -0.00
    10   1     0.55   0.10  -0.12     0.19   0.00  -0.02     0.01  -0.01   0.02
    11   1     0.07  -0.02   0.02     0.53   0.05  -0.12    -0.17  -0.04   0.07
    12   1    -0.01  -0.07  -0.00     0.17   0.25  -0.16    -0.17  -0.46   0.14
    13   1    -0.19  -0.11   0.12     0.13   0.30  -0.14    -0.08  -0.20   0.08
    14   6     0.03   0.04  -0.02     0.01  -0.02  -0.02     0.03  -0.00   0.00
    15   1     0.00   0.50   0.30     0.30  -0.00   0.23     0.50  -0.34   0.33
    16   1    -0.34  -0.01   0.00     0.27   0.02  -0.02     0.13  -0.02   0.07
    17   1    -0.01  -0.06   0.03     0.20   0.02  -0.02     0.27  -0.03   0.01
    18   1     0.03  -0.10  -0.06     0.02   0.11   0.04    -0.06   0.04  -0.07
    19   1    -0.06  -0.09   0.12     0.01   0.12   0.11     0.01   0.01   0.05
    20   1    -0.04   0.05   0.13     0.00  -0.00   0.12    -0.10   0.00   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1396.2077              1421.4058              1466.3572
 Red. masses --      1.4178                 1.2549                 1.1000
 Frc consts  --      1.6284                 1.4938                 1.3936
 IR Inten    --      0.5821                 7.8309                 8.7816
 RamAct Fr= 1--      0.6862                 0.0813                10.2998
  Dep-P Fr= 1--      0.2676                 0.7500                 0.7481
  Dep-U Fr= 1--      0.4223                 0.8571                 0.8559
 Alpha2 Fr= 1--      0.0077                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0483                 0.0116                 1.4692
 AlphaG Fr= 1--     -0.0345                 0.0000                -0.0147
 Gamma2 Fr= 1--      0.1198                 0.0715                -0.2493
 Delta2 Fr= 1--     -0.1346                 0.0201                 0.2714
 Raman1 Fr= 1--       2.745                  0.325                 41.199
 ROA1   Fr= 1--       7.190                  7.512                -15.247
 CID1   Fr= 1--       2.619                 23.091                 -0.370
 Raman2 Fr= 1--       0.580                  0.139                 17.631
 ROA2   Fr= 1--       3.951                  1.556                 -8.154
 CID2   Fr= 1--       6.817                 11.161                 -0.462
 Raman3 Fr= 1--       1.159                  0.279                 35.261
 ROA3   Fr= 1--       7.190                  7.512                -15.247
 CID3   Fr= 1--       6.203                 26.939                 -0.432
 RC180  Fr= 1--      -0.155                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     2   6    -0.01  -0.05   0.02     0.00   0.01   0.00     0.04   0.04   0.02
     3   6     0.11   0.03  -0.01    -0.00  -0.01   0.00     0.01   0.00   0.00
     4   6    -0.06  -0.04   0.04     0.02   0.02  -0.02    -0.01  -0.01   0.01
     5   6    -0.02  -0.07  -0.08     0.01   0.01   0.04    -0.00   0.00  -0.01
     6   6    -0.01  -0.00   0.02     0.01   0.01  -0.02    -0.01   0.04  -0.05
     7   8    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.13   0.13  -0.03    -0.01  -0.03  -0.03    -0.20  -0.23  -0.38
     9   1     0.04   0.07  -0.03    -0.04  -0.02   0.02    -0.36  -0.22   0.20
    10   1    -0.40  -0.04   0.08     0.01   0.05  -0.02    -0.04   0.02   0.00
    11   1    -0.29   0.00   0.00    -0.03  -0.01  -0.03     0.01   0.01  -0.03
    12   1    -0.04   0.02   0.03    -0.04  -0.03   0.08     0.01   0.01  -0.02
    13   1     0.16   0.41  -0.15    -0.10  -0.13   0.05     0.04   0.05  -0.02
    14   6     0.02   0.01  -0.03    -0.04  -0.06  -0.11     0.00   0.00   0.02
    15   1     0.13   0.44   0.32    -0.07  -0.11  -0.10    -0.01   0.03  -0.00
    16   1    -0.11  -0.01   0.01    -0.02  -0.00   0.08     0.09   0.02   0.50
    17   1     0.15  -0.02   0.00    -0.08  -0.07   0.02     0.06  -0.48   0.11
    18   1     0.09   0.04   0.05     0.29   0.30   0.34    -0.06  -0.04  -0.06
    19   1    -0.04   0.05   0.19    -0.07   0.36   0.39     0.04   0.03  -0.06
    20   1     0.01   0.03   0.19     0.19   0.00   0.52     0.05  -0.00  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1474.7473              1488.6805              1498.7037
 Red. masses --      1.0886                 1.0714                 1.0598
 Frc consts  --      1.3949                 1.3989                 1.4025
 IR Inten    --      9.6688                 2.8086                 7.7256
 RamAct Fr= 1--      4.0629                 7.1745                 5.2532
  Dep-P Fr= 1--      0.7499                 0.7493                 0.7498
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.5804                 1.0244                 0.7504
 AlphaG Fr= 1--      0.0001                -0.0025                 0.0004
 Gamma2 Fr= 1--      0.7233                -2.5515                -0.9919
 Delta2 Fr= 1--      0.3639                -1.3641                 0.1913
 Raman1 Fr= 1--      16.252                 28.698                 21.013
 ROA1   Fr= 1--      81.078               -288.594                -89.106
 CID1   Fr= 1--       4.989                -10.056                 -4.241
 Raman2 Fr= 1--       6.965                 12.293                  9.004
 ROA2   Fr= 1--      14.447                -50.323                -25.337
 CID2   Fr= 1--       2.074                 -4.094                 -2.814
 Raman3 Fr= 1--      13.929                 24.585                 18.009
 ROA3   Fr= 1--      81.078               -288.594                -89.106
 CID3   Fr= 1--       5.821                -11.739                 -4.948
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
     2   6    -0.04  -0.04  -0.01     0.01   0.00   0.01     0.01   0.01  -0.00
     3   6    -0.01   0.00  -0.00     0.00  -0.02   0.03    -0.01   0.02  -0.03
     4   6    -0.02   0.02   0.01    -0.04   0.03   0.03    -0.01   0.01   0.01
     5   6    -0.00   0.00   0.00     0.01   0.01   0.01    -0.01   0.03  -0.01
     6   6     0.00   0.03  -0.04     0.00  -0.01   0.01     0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   1     0.19   0.24   0.38    -0.05  -0.05  -0.08    -0.02  -0.02  -0.05
     9   1     0.35   0.26  -0.21    -0.09  -0.03   0.04    -0.05  -0.03   0.02
    10   1     0.04  -0.04   0.00    -0.02   0.28  -0.06     0.05  -0.30   0.07
    11   1    -0.00  -0.00   0.04    -0.06   0.00  -0.28     0.06   0.01   0.30
    12   1     0.04  -0.10  -0.21     0.08  -0.20  -0.44     0.02  -0.08  -0.15
    13   1     0.21  -0.10   0.03     0.46  -0.18   0.05     0.17  -0.05   0.01
    14   6    -0.00  -0.00   0.00     0.03  -0.00  -0.02    -0.01   0.03  -0.02
    15   1    -0.01   0.00  -0.01    -0.03  -0.01  -0.04     0.02  -0.05  -0.01
    16   1     0.07   0.01   0.44    -0.01  -0.00  -0.08     0.03  -0.00   0.00
    17   1     0.01  -0.43   0.11    -0.02   0.08  -0.02    -0.01  -0.00   0.00
    18   1    -0.04  -0.01  -0.03     0.05   0.25   0.11     0.40  -0.36   0.24
    19   1     0.03   0.06  -0.03    -0.08  -0.27   0.00    -0.23  -0.21   0.42
    20   1     0.05  -0.00   0.01    -0.38   0.01   0.09     0.02  -0.01  -0.33
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1504.3794              1513.1215              1786.0520
 Red. masses --      1.0664                 1.0739                10.8447
 Frc consts  --      1.4219                 1.4487                20.3825
 IR Inten    --      5.9725                 5.0046               212.6753
 RamAct Fr= 1--      1.0466                 2.9982                22.0229
  Dep-P Fr= 1--      0.5072                 0.6241                 0.5065
  Dep-U Fr= 1--      0.6730                 0.7685                 0.6724
 Alpha2 Fr= 1--      0.0050                 0.0069                 0.1055
 Beta2  Fr= 1--      0.1174                 0.3840                 2.4680
 AlphaG Fr= 1--     -0.0066                 0.0337                -0.0227
 Gamma2 Fr= 1--     -0.0731                 0.8893                 1.3143
 Delta2 Fr= 1--      0.1412                 0.5182                -0.3973
 Raman1 Fr= 1--       4.186                 11.993                 88.092
 ROA1   Fr= 1--      -2.498                101.960                113.459
 CID1   Fr= 1--      -0.597                  8.502                  1.288
 Raman2 Fr= 1--       1.409                  4.608                 29.615
 ROA2   Fr= 1--      -2.884                 17.198                 34.721
 CID2   Fr= 1--      -2.047                  3.732                  1.172
 Raman3 Fr= 1--       2.818                  9.217                 59.231
 ROA3   Fr= 1--      -2.498                101.960                113.459
 CID3   Fr= 1--      -0.887                 11.062                  1.916
 RC180  Fr= 1--       0.346                  0.537                  0.345
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.55  -0.40  -0.33
     2   6     0.01   0.01   0.00    -0.00  -0.01   0.00    -0.03   0.03   0.02
     3   6    -0.00   0.01  -0.01     0.01  -0.04   0.05    -0.01   0.01   0.00
     4   6    -0.03   0.03   0.02     0.01  -0.01   0.00     0.00  -0.00   0.00
     5   6    -0.02  -0.02   0.01    -0.02   0.02  -0.00    -0.02   0.01   0.00
     6   6     0.01  -0.01   0.02     0.00  -0.00   0.00    -0.04   0.02   0.03
     7   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.36   0.26   0.21
     8   1    -0.04  -0.05  -0.09     0.02   0.01   0.04     0.10  -0.25  -0.02
     9   1    -0.08  -0.06   0.05     0.02   0.04  -0.02    -0.06   0.11  -0.03
    10   1     0.02  -0.13   0.03    -0.05   0.53  -0.11     0.05  -0.04   0.00
    11   1     0.01   0.01   0.14    -0.09  -0.01  -0.52     0.03   0.02   0.02
    12   1     0.05  -0.19  -0.35    -0.00  -0.01   0.03     0.00  -0.01  -0.01
    13   1     0.36  -0.15   0.05    -0.02   0.03  -0.01     0.00   0.00  -0.00
    14   6    -0.03  -0.02   0.01    -0.03   0.02   0.01     0.00   0.00  -0.00
    15   1     0.01   0.04   0.07     0.03  -0.03   0.02     0.01  -0.02   0.03
    16   1    -0.06  -0.01  -0.18     0.01  -0.00   0.00     0.23   0.03  -0.14
    17   1    -0.02   0.17  -0.04    -0.00   0.00   0.00    -0.13  -0.02   0.03
    18   1    -0.17  -0.15  -0.19     0.14  -0.41   0.00     0.02  -0.03   0.00
    19   1     0.16   0.44  -0.10    -0.04   0.11   0.19    -0.01   0.01   0.04
    20   1     0.47  -0.01   0.07     0.32  -0.01  -0.26     0.01  -0.00  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3009.0785              3010.6625              3017.1934
 Red. masses --      1.0683                 1.0687                 1.0687
 Frc consts  --      5.6989                 5.7075                 5.7319
 IR Inten    --      0.7721                19.2033                19.0713
 RamAct Fr= 1--     45.5803               113.0540                72.2471
  Dep-P Fr= 1--      0.2187                 0.3309                 0.3514
  Dep-U Fr= 1--      0.3589                 0.4973                 0.5200
 Alpha2 Fr= 1--      0.5888                 1.0547                 0.6314
 Beta2  Fr= 1--      2.7266                 9.3705                 6.2618
 AlphaG Fr= 1--      1.5923                -0.5886                -0.6596
 Gamma2 Fr= 1--     -0.3511                -4.2555                14.7132
 Delta2 Fr= 1--      1.3705                -4.2655                 5.3565
 Raman1 Fr= 1--     182.321                452.216                288.988
 ROA1   Fr= 1--      10.148               -545.022               1583.877
 CID1   Fr= 1--       0.056                 -1.205                  5.481
 Raman2 Fr= 1--      32.720                112.446                 75.141
 ROA2   Fr= 1--     -19.391                -68.007                310.266
 CID2   Fr= 1--      -0.593                 -0.605                  4.129
 Raman3 Fr= 1--      65.439                224.892                150.283
 ROA3   Fr= 1--      10.148               -545.022               1583.877
 CID3   Fr= 1--       0.155                 -2.423                 10.539
 RC180  Fr= 1--      -0.282                 -0.005                  0.040
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.02  -0.03  -0.05    -0.01  -0.01  -0.01    -0.01  -0.02  -0.02
     3   6     0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.02  -0.03  -0.05    -0.01   0.01   0.02
     5   6     0.01   0.01  -0.01    -0.02  -0.01   0.02    -0.02  -0.01   0.02
     6   6     0.00  -0.00   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.06
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.14   0.06  -0.15     0.03   0.01  -0.03     0.07   0.03  -0.07
     9   1     0.15   0.33   0.76     0.03   0.07   0.17     0.07   0.16   0.36
    10   1    -0.01  -0.03  -0.11    -0.02  -0.04  -0.15    -0.01  -0.02  -0.05
    11   1     0.00  -0.04   0.00     0.01  -0.07  -0.00    -0.00   0.01   0.00
    12   1     0.05  -0.02   0.02    -0.31   0.09  -0.13     0.10  -0.03   0.05
    13   1    -0.01  -0.03  -0.09     0.08   0.27   0.73    -0.03  -0.10  -0.26
    14   6    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    15   1    -0.13  -0.06   0.13     0.28   0.14  -0.29     0.23   0.12  -0.24
    16   1    -0.01   0.12   0.01     0.00  -0.01   0.00     0.02  -0.24  -0.02
    17   1    -0.04  -0.12  -0.38     0.00   0.00   0.01     0.08   0.22   0.69
    18   1     0.02   0.01  -0.02    -0.06  -0.02   0.06    -0.04  -0.02   0.04
    19   1    -0.01   0.00  -0.00     0.02  -0.01   0.01    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3029.8022              3033.1190              3038.0528
 Red. masses --      1.0699                 1.0482                 1.0603
 Frc consts  --      5.7868                 5.6816                 5.7661
 IR Inten    --     47.4115                15.1479                17.0666
 RamAct Fr= 1--    135.5382               239.2680               192.6725
  Dep-P Fr= 1--      0.2439                 0.0341                 0.0820
  Dep-U Fr= 1--      0.3922                 0.0659                 0.1516
 Alpha2 Fr= 1--      1.6338                 4.9085                 3.5242
 Beta2  Fr= 1--      8.8595                 2.6268                 4.8690
 AlphaG Fr= 1--      1.1000                 1.6827                -2.1043
 Gamma2 Fr= 1--      8.9501                -6.5259                -9.4309
 Delta2 Fr= 1--      4.1347                -2.9903                -9.0311
 Raman1 Fr= 1--     542.153                957.072                770.690
 ROA1   Fr= 1--     991.524               -722.175              -1194.361
 CID1   Fr= 1--       1.829                 -0.755                 -1.550
 Raman2 Fr= 1--     106.314                 31.521                 58.428
 ROA2   Fr= 1--     181.725               -132.698               -154.093
 CID2   Fr= 1--       1.709                 -4.210                 -2.637
 Raman3 Fr= 1--     212.628                 63.043                116.856
 ROA3   Fr= 1--     991.524               -722.175              -1194.361
 CID3   Fr= 1--       4.663                -11.455                -10.221
 RC180  Fr= 1--      -0.216                 -0.868                 -0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00   0.00
     3   6     0.00   0.00   0.01     0.00  -0.01   0.02    -0.01   0.03  -0.05
     4   6     0.00  -0.01  -0.02    -0.01   0.01   0.01     0.02  -0.00   0.02
     5   6     0.04   0.02  -0.04    -0.02  -0.01   0.02    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.03     0.00   0.00   0.02     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.00   0.00  -0.00    -0.03  -0.02   0.03     0.06   0.03  -0.06
     9   1     0.01   0.02   0.05    -0.01  -0.03  -0.07     0.01   0.02   0.05
    10   1    -0.02  -0.04  -0.15    -0.04  -0.08  -0.26     0.09   0.19   0.63
    11   1     0.00   0.01   0.00    -0.02   0.25   0.02     0.03  -0.50  -0.04
    12   1    -0.07   0.02  -0.03     0.14  -0.04   0.05    -0.27   0.08  -0.10
    13   1     0.02   0.10   0.26    -0.02  -0.07  -0.18    -0.01  -0.05  -0.12
    14   6    -0.01  -0.01  -0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.02
    15   1    -0.47  -0.23   0.48     0.21   0.10  -0.21     0.05   0.02  -0.05
    16   1     0.01  -0.11  -0.01    -0.01   0.06   0.01    -0.00  -0.00  -0.00
    17   1     0.04   0.11   0.36    -0.03  -0.07  -0.23    -0.00  -0.01  -0.03
    18   1    -0.12  -0.05   0.12    -0.34  -0.13   0.35    -0.13  -0.05   0.13
    19   1     0.30  -0.10   0.10     0.41  -0.13   0.13     0.26  -0.09   0.08
    20   1    -0.00   0.30  -0.03     0.00   0.39  -0.04    -0.00   0.23  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3058.8450              3072.3535              3094.3196
 Red. masses --      1.0924                 1.1031                 1.1012
 Frc consts  --      6.0222                 6.1351                 6.2125
 IR Inten    --     46.5471                46.5897                15.0190
 RamAct Fr= 1--    178.9476                81.9584                56.7534
  Dep-P Fr= 1--      0.2031                 0.4964                 0.6676
  Dep-U Fr= 1--      0.3376                 0.6635                 0.8007
 Alpha2 Fr= 1--      2.4103                 0.4115                 0.0831
 Beta2  Fr= 1--     10.0691                 9.0627                 7.5736
 AlphaG Fr= 1--     -1.4454                -0.9015                 0.2426
 Gamma2 Fr= 1--     10.3320               -33.7644                -7.7799
 Delta2 Fr= 1--     10.5911               -15.9124                -6.3865
 Raman1 Fr= 1--     715.790                327.834                227.014
 ROA1   Fr= 1--    1330.789              -3750.580               -951.239
 CID1   Fr= 1--       1.859                -11.440                 -4.190
 Raman2 Fr= 1--     120.829                108.753                 90.883
 ROA2   Fr= 1--     163.240               -683.047               -135.626
 CID2   Fr= 1--       1.351                 -6.281                 -1.492
 Raman3 Fr= 1--     241.657                217.506                181.766
 ROA3   Fr= 1--    1330.789              -3750.580               -951.239
 CID3   Fr= 1--       5.507                -17.244                 -5.233
 RC180  Fr= 1--      -0.325                  0.327                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.03  -0.01    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
     4   6    -0.07   0.01  -0.05    -0.01  -0.00  -0.02     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.03   0.01
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.02   0.01  -0.02     0.08   0.04  -0.08    -0.02  -0.01   0.02
     9   1    -0.00  -0.01  -0.02     0.02   0.04   0.10     0.00   0.00   0.00
    10   1     0.02   0.04   0.12     0.08   0.15   0.57     0.00   0.00   0.01
    11   1     0.02  -0.39  -0.02    -0.05   0.72   0.02    -0.00   0.01  -0.00
    12   1     0.76  -0.23   0.28     0.14  -0.04   0.05    -0.04   0.02  -0.02
    13   1     0.02   0.12   0.30     0.02   0.08   0.21    -0.00  -0.01  -0.01
    14   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.05  -0.06   0.01
    15   1     0.03   0.02  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    16   1     0.00  -0.02  -0.00     0.00  -0.02  -0.00     0.04  -0.38  -0.02
    17   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.01  -0.03  -0.11
    18   1    -0.04  -0.02   0.04     0.05   0.02  -0.06    -0.06  -0.04   0.08
    19   1     0.01  -0.00   0.00     0.06  -0.02   0.02    -0.60   0.18  -0.20
    20   1     0.00   0.06  -0.01    -0.00   0.08  -0.01     0.01   0.62  -0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3095.9944              3098.6575              3103.3695
 Red. masses --      1.1004                 1.0964                 1.0947
 Frc consts  --      6.2146                 6.2027                 6.2115
 IR Inten    --     23.2835                38.9040                19.9042
 RamAct Fr= 1--     22.1180               143.7225               122.1870
  Dep-P Fr= 1--      0.5111                 0.5299                 0.3177
  Dep-U Fr= 1--      0.6765                 0.6927                 0.4822
 Alpha2 Fr= 1--      0.1036                 0.6126                 1.1878
 Beta2  Fr= 1--      2.4937                16.5934                 9.8194
 AlphaG Fr= 1--     -0.0093                 0.1171                -0.2054
 Gamma2 Fr= 1--     16.9329                -4.5162                 6.3529
 Delta2 Fr= 1--     12.0077                 1.1264                 3.6835
 Raman1 Fr= 1--      88.472                574.890                488.748
 ROA1   Fr= 1--    2009.805               -397.507                727.747
 CID1   Fr= 1--      22.717                 -0.691                  1.489
 Raman2 Fr= 1--      29.925                199.121                117.833
 ROA2   Fr= 1--     310.328               -117.399                123.000
 CID2   Fr= 1--      10.370                 -0.590                  1.044
 Raman3 Fr= 1--      59.850                398.242                235.666
 ROA3   Fr= 1--    2009.805               -397.507                727.747
 CID3   Fr= 1--      33.581                 -0.998                  3.088
 RC180  Fr= 1--       0.353                  0.385                 -0.036
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00   0.01    -0.01  -0.00   0.01    -0.05  -0.02   0.07
     3   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.03  -0.01     0.00  -0.07  -0.02    -0.00   0.01   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.08   0.04  -0.08     0.07   0.03  -0.06     0.67   0.30  -0.60
     9   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.05  -0.10  -0.22
    10   1     0.02   0.03   0.11    -0.01  -0.01  -0.04    -0.02  -0.03  -0.12
    11   1    -0.00   0.06   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    12   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.02   0.00  -0.01
    13   1     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    14   6     0.07   0.03  -0.04     0.00  -0.04   0.02    -0.01  -0.00   0.00
    15   1    -0.09  -0.04   0.10     0.04   0.02  -0.04     0.00   0.00  -0.00
    16   1    -0.03   0.27   0.01    -0.09   0.81   0.03     0.01  -0.13  -0.00
    17   1     0.01   0.02   0.09     0.03   0.06   0.23    -0.00  -0.01  -0.04
    18   1    -0.51  -0.19   0.54     0.14   0.04  -0.15     0.04   0.02  -0.04
    19   1    -0.34   0.12  -0.13    -0.15   0.04  -0.04     0.03  -0.01   0.01
    20   1     0.02  -0.35   0.02     0.00   0.42  -0.03    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   657.85592 905.368791227.62861
           X            0.99548   0.09292   0.01983
           Y           -0.09289   0.99567  -0.00240
           Z           -0.01997   0.00054   0.99980
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13166     0.09567     0.07055
 Rotational constants (GHZ):           2.74337     1.99338     1.47010
 Zero-point vibrational energy     469607.0 (Joules/Mol)
                                  112.23877 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    124.26   181.56   307.70   379.20   496.59
          (Kelvin)            524.43   617.60   669.38   713.47   803.68
                              976.89  1079.43  1136.59  1191.59  1267.48
                             1298.73  1378.84  1405.85  1413.54  1495.03
                             1534.73  1550.87  1622.34  1652.07  1725.74
                             1794.11  1798.28  1840.80  1884.23  1930.16
                             1957.49  1976.86  1989.39  2008.83  2045.09
                             2109.76  2121.83  2141.88  2156.30  2164.47
                             2177.04  2569.73  4329.39  4331.67  4341.07
                             4359.21  4363.98  4371.08  4401.00  4420.43
                             4452.04  4454.45  4458.28  4465.06
 
 Zero-point correction=                           0.178864 (Hartree/Particle)
 Thermal correction to Energy=                    0.186687
 Thermal correction to Enthalpy=                  0.187632
 Thermal correction to Gibbs Free Energy=         0.146815
 Sum of electronic and zero-point Energies=           -349.193398
 Sum of electronic and thermal Energies=              -349.185575
 Sum of electronic and thermal Enthalpies=            -349.184631
 Sum of electronic and thermal Free Energies=         -349.225447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  117.148             30.256             85.906
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.082
 Vibrational            115.371             24.294             17.765
 Vibration     1          0.601              1.959              3.741
 Vibration     2          0.611              1.927              3.003
 Vibration     3          0.644              1.820              2.010
 Vibration     4          0.670              1.740              1.638
 Vibration     5          0.724              1.585              1.188
 Vibration     6          0.738              1.545              1.103
 Vibration     7          0.791              1.407              0.861
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.851              1.259              0.668
 Vibration    10          0.914              1.121              0.527
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.295050D-67        -67.530104       -155.493811
 Total V=0       0.551433D+15         14.741493         33.943541
 Vib (Bot)       0.206653D-80        -80.684759       -185.783522
 Vib (Bot)    1  0.238222D+01          0.376982          0.868033
 Vib (Bot)    2  0.161703D+01          0.208717          0.480588
 Vib (Bot)    3  0.927272D+00         -0.032793         -0.075509
 Vib (Bot)    4  0.735655D+00         -0.133326         -0.306994
 Vib (Bot)    5  0.536231D+00         -0.270648         -0.623190
 Vib (Bot)    6  0.501346D+00         -0.299863         -0.690459
 Vib (Bot)    7  0.406145D+00         -0.391319         -0.901045
 Vib (Bot)    8  0.364004D+00         -0.438894         -1.010591
 Vib (Bot)    9  0.332639D+00         -0.478026         -1.100696
 Vib (Bot)   10  0.278623D+00         -0.554983         -1.277895
 Vib (V=0)       0.386223D+02          1.586838          3.653830
 Vib (V=0)    1  0.293413D+01          0.467479          1.076410
 Vib (V=0)    2  0.219256D+01          0.340952          0.785071
 Vib (V=0)    3  0.155349D+01          0.191307          0.440501
 Vib (V=0)    4  0.138949D+01          0.142855          0.328935
 Vib (V=0)    5  0.123317D+01          0.091024          0.209591
 Vib (V=0)    6  0.120806D+01          0.082088          0.189015
 Vib (V=0)    7  0.114417D+01          0.058490          0.134679
 Vib (V=0)    8  0.111846D+01          0.048622          0.111957
 Vib (V=0)    9  0.110054D+01          0.041606          0.095801
 Vib (V=0)   10  0.107239D+01          0.030353          0.069890
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.306096D+06          5.485857         12.631653
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000013700   -0.000002233   -0.000003183
      2        6          -0.000004999    0.000039617   -0.000010300
      3        6          -0.000001861    0.000000296    0.000002682
      4        6           0.000011671   -0.000011962   -0.000004619
      5        6           0.000015039    0.000009010    0.000021512
      6        6          -0.000007476   -0.000006649   -0.000003266
      7        8          -0.000001107    0.000002105   -0.000006063
      8        1           0.000001493   -0.000004377    0.000000119
      9        1          -0.000001746   -0.000003527    0.000002594
     10        1           0.000000288    0.000004125    0.000002689
     11        1           0.000002883    0.000000809    0.000000402
     12        1           0.000004840    0.000001077    0.000001270
     13        1           0.000003678   -0.000002355    0.000001251
     14        6          -0.000000668   -0.000012361   -0.000001929
     15        1          -0.000003634    0.000003384   -0.000001910
     16        1          -0.000001401   -0.000001529    0.000004060
     17        1          -0.000000503   -0.000002970   -0.000001054
     18        1           0.000002630   -0.000010571    0.000003519
     19        1          -0.000001918   -0.000002124   -0.000007950
     20        1          -0.000003510    0.000000236    0.000000177
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039617 RMS     0.000007845
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.932791D+02 -0.141693D+01 -0.242671D+01
      2  -0.141693D+01  0.910064D+02  0.284571D+00
      3  -0.242671D+01  0.284571D+00  0.786900D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.830344D+00  0.415715D+01 -0.339116D+01
      2  -0.136884D+02 -0.623476D+00 -0.171794D+02
      3   0.111412D+02  0.108153D+02  0.183263D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.284328D+02 -0.195364D+02 -0.274459D+02
      2   0.165844D+02  0.218268D+02  0.118783D+01
      3   0.118484D+02 -0.229036D+01  0.262581D+02
      4  -0.181533D+01 -0.228612D+02 -0.245556D+01
      5  -0.236500D+02 -0.220650D+01 -0.362169D+02
      6   0.428214D+00 -0.252548D+01  0.823881D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.293926D+01  0.532361D+01  0.728544D+00  0.504610D+01 -0.139417D+01
      2   0.532361D+01  0.493595D+00 -0.288038D+01 -0.139417D+01 -0.421319D+01
      3   0.728544D+00 -0.288038D+01  0.109265D+01 -0.248519D+01  0.187284D+01
                 6             7             8             9            10 
      1  -0.248519D+01  0.121900D+01 -0.308594D+01  0.134021D+00 -0.119207D+00
      2   0.187284D+01 -0.308594D+01  0.842342D+00  0.221390D+01 -0.428859D+01
      3   0.187255D+01  0.134021D+00  0.221390D+01  0.851235D+00  0.272357D+01
                11            12            13            14            15 
      1  -0.428859D+01  0.272357D+01 -0.372762D+01  0.541401D+00  0.783381D+00
      2  -0.373971D+00  0.767559D+00  0.541401D+00  0.349031D+01 -0.172034D+01
      3   0.767559D+00 -0.283703D+01  0.783381D+00 -0.172034D+01 -0.242664D+01
                16            17            18            19            20 
      1   0.444520D+01  0.622441D+00 -0.355584D+01 -0.322710D+01  0.331651D+01
      2   0.622441D+00 -0.176090D+01 -0.368973D+01  0.331651D+01 -0.534376D+00
      3  -0.355584D+01 -0.368973D+01 -0.340486D+01 -0.176925D+01 -0.147303D+00
                21            22            23            24            25 
      1  -0.176925D+01  0.231317D+01  0.102577D+01 -0.120513D+00 -0.228934D+01
      2  -0.147303D+00  0.102577D+01 -0.857161D+01  0.752560D+00  0.832909D-01
      3   0.180095D+01 -0.120513D+00  0.752560D+00  0.221267D+01  0.189823D+01
                26            27            28            29            30 
      1   0.832909D-01  0.189823D+01  0.680776D+01 -0.392836D+01  0.297293D+01
      2  -0.739775D+00  0.202561D+01 -0.392836D+01  0.920486D-01 -0.128464D+00
      3   0.202561D+01  0.646125D+01  0.297293D+01 -0.128464D+00 -0.104460D+01
                31            32            33            34            35 
      1  -0.352476D+01 -0.141211D+00  0.122260D-01  0.441610D+01 -0.391447D+00
      2  -0.141211D+00  0.457629D+01 -0.425172D+00 -0.391447D+00 -0.892964D+00
      3   0.122260D-01 -0.425172D+00 -0.282341D+01 -0.566741D+00 -0.407171D+01
                36            37            38            39            40 
      1  -0.566741D+00 -0.438884D+01  0.328759D+01 -0.399229D+01  0.442973D+01
      2  -0.407171D+01  0.328759D+01  0.996065D+00  0.158906D+00  0.100309D+01
      3  -0.624259D+01 -0.399229D+01  0.158906D+00  0.280273D+01 -0.733571D-01
                41            42            43            44            45 
      1   0.100309D+01 -0.733571D-01 -0.498133D+01 -0.644444D-01  0.392814D+01
      2  -0.519492D+01 -0.811327D-01 -0.644444D-01  0.442620D+00  0.424988D+01
      3  -0.811327D-01  0.361862D+01  0.392814D+01  0.424988D+01  0.155532D+01
                46            47            48            49            50 
      1   0.442099D+01 -0.319716D+01  0.174035D+01 -0.238045D+01 -0.207944D+01
      2  -0.319716D+01 -0.215230D+01  0.819182D+00 -0.207944D+01  0.796154D+01
      3   0.174035D+01  0.819182D+00 -0.150683D+01  0.406434D+00 -0.324013D+00
                51            52            53            54            55 
      1   0.406434D+00  0.131032D+01  0.234312D+00 -0.107099D+01  0.110977D+02
      2  -0.324013D+00  0.234312D+00  0.108624D+01 -0.257925D+01 -0.515856D+01
      3  -0.330672D+01 -0.107099D+01 -0.257925D+01 -0.574397D+01 -0.265469D+01
                56            57            58            59            60 
      1  -0.515856D+01 -0.265469D+01 -0.516628D+01  0.443678D+01  0.172377D+01
      2   0.255778D+01  0.152477D+01  0.443678D+01 -0.373630D+01 -0.214955D+01
      3   0.152477D+01  0.115666D+01  0.172377D+01 -0.214955D+01 -0.161291D+01
                61            62            63            64            65 
      1  -0.351529D+01  0.225114D+01  0.334573D+01  0.600645D+01  0.267621D+01
      2   0.225114D+01 -0.166110D+01 -0.281936D+01  0.267621D+01  0.217570D+01
      3   0.334573D+01 -0.281936D+01 -0.323974D+01 -0.252077D+01 -0.107055D+01
                66            67            68            69            70 
      1  -0.252077D+01  0.181173D+01  0.166386D+01 -0.542644D+00 -0.369082D+01
      2  -0.107055D+01  0.166386D+01  0.146690D+01 -0.880508D+00 -0.143086D+01
      3   0.190849D+01 -0.542644D+00 -0.880508D+00  0.926389D+00  0.259498D+01
                71            72            73            74            75 
      1  -0.143086D+01  0.259498D+01  0.895787D+00  0.168317D+01  0.101662D+01
      2  -0.159625D+01  0.182993D+01  0.168317D+01  0.605599D+00  0.558632D+00
      3   0.182993D+01 -0.254332D+01  0.101662D+01  0.558632D+00  0.967739D+00
                76            77            78            79            80 
      1   0.144151D+01  0.734076D+00  0.564107D+00  0.174892D+01  0.922160D+00
      2   0.734076D+00  0.236704D+01  0.200075D+01  0.922160D+00  0.345913D+01
      3   0.564107D+00  0.200075D+01  0.201481D+01  0.209972D+01  0.292558D+01
                81            82            83            84            85 
      1   0.209972D+01 -0.287281D+00 -0.472239D+00 -0.868341D+00 -0.850823D+00
      2   0.292558D+01 -0.472239D+00 -0.136337D+00  0.637669D-01 -0.476519D+00
      3   0.571490D+01 -0.868341D+00  0.637669D-01 -0.840750D+00 -0.223301D+00
                86            87            88            89            90 
      1  -0.476519D+00 -0.223301D+00 -0.151683D+01 -0.140341D+00 -0.125266D+01
      2   0.198875D+00 -0.107640D+01 -0.140341D+00 -0.122246D+01  0.294636D+00
      3  -0.107640D+01 -0.120997D+01 -0.125266D+01  0.294636D+00 -0.807735D+01
                91            92            93            94            95 
      1  -0.131744D+00  0.127941D+01  0.136813D+00  0.151819D+01 -0.119110D+01
      2   0.127941D+01 -0.759371D+00  0.640898D-01 -0.119110D+01  0.127552D+02
      3   0.136813D+00  0.640898D-01 -0.338632D+00  0.130878D+00 -0.137071D+01
                96            97            98            99           100 
      1   0.130878D+00  0.436175D+00 -0.244369D-01 -0.397319D+00 -0.983252D+01
      2  -0.137071D+01 -0.244369D-01  0.142329D+00  0.119065D+01  0.306301D+01
      3   0.867611D+00 -0.397319D+00  0.119065D+01 -0.840073D+00 -0.120198D+01
               101           102           103           104           105 
      1   0.306301D+01 -0.120198D+01  0.221177D+01 -0.203054D+01  0.142924D+00
      2  -0.228324D+01  0.283864D+00 -0.203054D+01  0.116160D+01 -0.347405D+00
      3   0.283864D+00 -0.101926D+01  0.142924D+00 -0.347405D+00  0.644514D+00
               106           107           108           109           110 
      1  -0.262155D+01  0.787548D+00 -0.140022D+01 -0.521721D+00  0.972696D+00
      2   0.787548D+00 -0.928606D+00  0.102758D+01  0.972696D+00  0.282581D+00
      3  -0.140022D+01  0.102758D+01 -0.272711D+00  0.775974D+00  0.699575D-01
               111           112           113           114           115 
      1   0.775974D+00  0.902884D+00 -0.155284D+00 -0.361644D+00  0.105958D+01
      2   0.699575D-01 -0.155284D+00  0.164963D+01  0.203187D+01 -0.261346D+00
      3   0.469099D+00 -0.361644D+00  0.203187D+01  0.237771D+01 -0.877868D+00
               116           117           118           119           120 
      1  -0.261346D+00 -0.877868D+00  0.500524D+01 -0.212941D+01  0.417567D+01
      2   0.290616D+01  0.320846D+01 -0.212941D+01 -0.527417D+00 -0.531007D+00
      3   0.320846D+01  0.790307D+01  0.417567D+01 -0.531007D+00 -0.162679D+01
               121           122           123           124           125 
      1  -0.313347D+01  0.339930D+00 -0.100176D+01  0.339020D+01 -0.580729D+00
      2   0.339930D+00  0.776398D+01 -0.128716D+00 -0.580729D+00 -0.161413D+01
      3  -0.100176D+01 -0.128716D+00 -0.280504D+01 -0.243416D+01 -0.302768D+01
               126           127           128           129           130 
      1  -0.243416D+01 -0.538573D+01 -0.210235D+01  0.326891D+01 -0.211945D+01
      2  -0.302768D+01 -0.210235D+01 -0.164460D+01  0.834411D+00 -0.182539D+01
      3  -0.570331D+00  0.326891D+01  0.834411D+00 -0.304344D+01  0.892090D+00
               131           132           133           134           135 
      1  -0.182539D+01  0.892090D+00  0.377575D+01  0.106418D+01 -0.334954D+01
      2  -0.111583D+01  0.130021D+01  0.106418D+01  0.142668D+01 -0.187290D+01
      3   0.130021D+01 -0.174375D+01 -0.334954D+01 -0.187290D+01  0.418140D+01
               136           137           138           139           140 
      1   0.195309D+00 -0.110901D+01 -0.110703D+00 -0.146425D+01  0.110207D+01
      2  -0.110901D+01  0.131830D+01 -0.390458D+00  0.110207D+01 -0.988610D+01
      3  -0.110703D+00 -0.390458D+00  0.294597D+00 -0.379711D+00  0.155812D+01
               141           142           143           144           145 
      1  -0.379711D+00 -0.394743D+00 -0.253663D-01  0.257617D+00 -0.454882D+00
      2   0.155812D+01 -0.253663D-01 -0.374329D+00 -0.986094D+00  0.512449D+00
      3  -0.123918D+01  0.257617D+00 -0.986094D+00  0.932347D+00  0.111279D+01
               146           147           148           149           150 
      1   0.512449D+00  0.111279D+01  0.129370D+01  0.403843D+00  0.578081D-01
      2   0.245315D+00 -0.212340D+00  0.403843D+00 -0.770875D-01  0.118789D+01
      3  -0.212340D+00  0.110293D+01  0.578081D-01  0.118789D+01  0.192388D+01
               151           152           153           154           155 
      1   0.143204D+01  0.987145D-01  0.914861D+00  0.215602D+01  0.813069D+00
      2   0.987145D-01  0.118190D+01  0.292125D+00  0.813069D+00  0.113799D+01
      3   0.914861D+00  0.292125D+00  0.974564D+01 -0.160911D+01  0.147894D+00
               156           157           158           159           160 
      1  -0.160911D+01  0.866842D+00  0.598702D+00 -0.559601D-01 -0.190891D+01
      2   0.147894D+00  0.598702D+00 -0.126851D+00 -0.572244D+00 -0.308810D+00
      3   0.274032D+01 -0.559601D-01 -0.572244D+00  0.928319D+00  0.144979D+01
               161           162           163           164           165 
      1  -0.308810D+00  0.144979D+01 -0.846750D+01  0.366364D+00 -0.345481D+01
      2  -0.997644D+00  0.238479D+00  0.366364D+00 -0.138560D+01 -0.357772D-01
      3   0.238479D+00 -0.463927D+01 -0.345481D+01 -0.357772D-01 -0.230721D+01
               166           167           168           169           170 
      1   0.190045D+01 -0.105168D+01  0.886469D+00 -0.221133D+01  0.178930D+00
      2  -0.105168D+01 -0.780281D-01 -0.402345D+00  0.178930D+00 -0.178211D+00
      3   0.886469D+00 -0.402345D+00  0.109556D+01 -0.181656D+01  0.297345D+00
               171           172           173           174           175 
      1  -0.181656D+01 -0.829472D+00 -0.908414D+00 -0.470224D+00 -0.136895D+01
      2   0.297345D+00 -0.908414D+00 -0.107760D+00  0.103256D+00 -0.150419D+01
      3  -0.174098D+01 -0.470224D+00  0.103256D+00  0.228390D+00 -0.355999D+00
               176           177           178           179           180 
      1  -0.150419D+01 -0.355999D+00 -0.103120D+00  0.710077D-01  0.988033D-01
      2  -0.103915D+02 -0.122569D+01  0.710077D-01  0.478959D+00 -0.747454D+00
      3  -0.122569D+01 -0.131501D+01  0.988033D-01 -0.747454D+00 -0.299711D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.774951D+01  0.989210D+01 -0.244258D+01  0.844335D+01 -0.145077D+01
      2  -0.955431D+01 -0.108173D+02 -0.438019D+00 -0.909575D+01  0.176860D+01
      3  -0.658710D+01 -0.947134D+01  0.434780D+01  0.823964D+00  0.131166D+01
                 6             7             8             9            10 
      1   0.693408D+01 -0.112357D+01  0.155418D+02 -0.459270D+01 -0.710900D+01
      2   0.131589D-01 -0.123025D+02 -0.207186D+01  0.116784D+02  0.913486D+01
      3  -0.726786D+01  0.187760D+01 -0.113315D+02  0.153232D+01  0.138430D+02
                11            12            13            14            15 
      1  -0.250221D+00  0.288452D+01 -0.295754D+01  0.231964D+01 -0.101094D+01
      2   0.195649D+01 -0.308773D+01  0.240004D+01 -0.303267D+01 -0.253701D+01
      3  -0.844207D+01  0.265244D+01 -0.105247D+01 -0.626028D+01  0.487620D+01
                16            17            18            19            20 
      1   0.347616D+01  0.949937D+01  0.688793D+01  0.543780D+01 -0.155157D+01
      2  -0.914404D+01 -0.446435D+01 -0.583765D+01 -0.116587D+01  0.148346D+01
      3   0.446236D+01  0.321532D+01 -0.297104D+00 -0.877021D+01  0.101545D+02
                21            22            23            24            25 
      1  -0.282099D+01  0.169999D+01  0.219886D+01 -0.734071D+01 -0.312781D+01
      2   0.307721D-01 -0.798023D+00  0.423745D+01 -0.121529D+01 -0.540641D+01
      3  -0.559259D+01  0.987018D+01  0.183513D+01 -0.216266D+01 -0.593364D+01
                26            27            28            29            30 
      1  -0.116202D+01 -0.135584D+02 -0.584322D+01  0.457980D+00  0.134023D+01
      2  -0.122250D+00  0.428455D+00 -0.108764D+02  0.165070D+01  0.255489D+01
      3  -0.165084D+01  0.370082D+01  0.915210D+00 -0.884710D+01  0.379444D+01
                31            32            33            34            35 
      1   0.841674D+00  0.391737D+01  0.226857D+01  0.353156D+00  0.763678D+01
      2   0.176066D+01  0.708709D+00  0.491643D+01 -0.415222D+01  0.675195D+01
      3  -0.237175D+01  0.746768D+01  0.110969D+00  0.500425D+01 -0.153036D+01
                36            37            38            39            40 
      1   0.563122D+01 -0.193047D+00  0.650789D+00  0.104038D+01  0.116620D+01
      2   0.881452D+01  0.147918D+02 -0.127086D+01  0.122574D+01 -0.701774D+01
      3  -0.643121D+01  0.859444D+01 -0.502141D+01  0.295353D+01 -0.139339D+01
                41            42            43            44            45 
      1  -0.362536D+01 -0.101806D+01 -0.113688D+01  0.664507D+01  0.269768D+01
      2  -0.199055D+01 -0.342398D+01 -0.155580D+01 -0.458743D+01 -0.290947D+01
      3  -0.107121D+02  0.147737D+01  0.560427D+01  0.145998D+01  0.288566D+01
                46            47            48            49            50 
      1  -0.105419D+01 -0.363810D+01 -0.245102D+01 -0.358823D+01  0.868714D+01
      2  -0.910027D+01  0.511095D+01  0.141629D+00  0.637835D+01  0.192952D+01
      3  -0.359967D+01  0.576877D+01 -0.297200D+01  0.117945D+02 -0.276250D+01
                51            52            53            54            55 
      1  -0.875391D+01  0.534328D-02 -0.121847D+01 -0.928372D+01 -0.454908D+01
      2   0.161937D+01 -0.931987D+01  0.317398D+00 -0.179664D+01 -0.272696D+01
      3   0.101733D+01 -0.363567D+01  0.790414D+00  0.144444D+01  0.189112D+01
                56            57            58            59            60 
      1  -0.444988D+01  0.357585D+01 -0.124359D+01  0.858678D-01 -0.731419D+01
      2   0.445915D+01  0.913979D+01  0.462846D+01 -0.364532D+01 -0.376125D+01
      3  -0.814778D+01 -0.128062D+01  0.104993D+01  0.912157D+01  0.330102D+01
                61            62            63            64            65 
      1   0.119796D+01 -0.123025D+01 -0.440206D+00  0.319670D+01  0.114591D+01
      2   0.485922D+01 -0.125160D+01 -0.104886D+02 -0.242923D+01 -0.243805D+01
      3   0.407178D+00  0.845437D+01  0.120601D+01  0.505127D+01 -0.291311D+01
                66            67            68            69            70 
      1  -0.344641D+01  0.153387D+01  0.118777D+01 -0.283592D+01 -0.377141D+01
      2   0.513096D+01 -0.713891D+00 -0.991105D+00  0.196373D+01  0.252763D+01
      3  -0.152266D+01  0.216234D+01  0.655022D+00 -0.134329D+00 -0.374620D+01
                71            72            73            74            75 
      1  -0.555472D+00  0.371696D+01 -0.141708D+01 -0.106903D+01 -0.207023D+01
      2   0.264876D+01 -0.499746D+01  0.119246D+01  0.101996D+01  0.309028D+01
      3   0.149920D+01  0.434596D+00 -0.134315D+01  0.954027D+00  0.597335D+00
                76            77            78            79            80 
      1  -0.674823D+00 -0.164949D+01 -0.412962D+01 -0.316816D+01 -0.453792D+01
      2   0.453030D+00  0.226762D+01  0.303427D+01  0.135325D+01  0.584168D+01
      3   0.283412D+01 -0.206311D+01 -0.186468D+01  0.247345D+01 -0.233994D+01
                81            82            83            84            85 
      1  -0.992334D+01  0.182660D+01  0.101724D+01  0.207965D+01  0.135966D+01
      2   0.963223D+01  0.404806D-01 -0.598830D+00  0.823897D+00 -0.159901D+01
      3  -0.323187D+00 -0.553412D+00 -0.333629D+01 -0.145677D+01 -0.182720D+01
                86            87            88            89            90 
      1   0.327167D+01  0.328466D+01  0.269072D+01  0.444518D+01  0.163864D+02
      2  -0.715944D+00 -0.445621D-01 -0.378064D+01 -0.630413D+00  0.704520D+00
      3  -0.229402D+00 -0.280793D+00 -0.300068D+01 -0.887101D+00 -0.199600D+01
                91            92            93            94            95 
      1  -0.944959D+00  0.195480D+00  0.529067D+00 -0.604671D+00 -0.139903D+01
      2  -0.766252D-01  0.522792D+00  0.116340D+01  0.221948D+01 -0.223271D+01
      3   0.414068D-01  0.839589D+00  0.926145D+00  0.767338D+01 -0.299106D+00
                96            97            98            99           100 
      1  -0.438783D+01  0.348461D+00 -0.946591D+00  0.173632D+01  0.332278D+01
      2  -0.286344D+00 -0.168033D+00 -0.796663D+00 -0.273520D+00  0.641413D+01
      3  -0.340982D+00  0.171239D+01 -0.681759D+00 -0.564359D+00 -0.824868D+01
               101           102           103           104           105 
      1  -0.119789D+01  0.236164D+01 -0.126266D+01  0.962022D+00 -0.206461D+01
      2  -0.221747D+01  0.537347D+01 -0.109496D+01  0.146038D+01 -0.195877D+01
      3  -0.422997D+01 -0.858443D+00  0.124481D+01 -0.190059D+00 -0.585905D+00
               106           107           108           109           110 
      1   0.218828D+01 -0.466455D+00  0.112329D+01  0.105222D+00  0.721946D+00
      2   0.253483D+01 -0.237917D+01  0.180902D+01 -0.743913D+00 -0.641593D+00
      3  -0.285673D+01 -0.190356D+01  0.212174D+00  0.127395D+01  0.106211D+01
               111           112           113           114           115 
      1  -0.942539D+00  0.351744D+00 -0.534202D+00 -0.318437D+01  0.835208D+00
      2  -0.566335D-01 -0.717193D+00 -0.304039D+01 -0.335302D+01 -0.245997D+01
      3   0.651665D+00  0.297610D+01  0.185102D+01  0.250861D+01  0.196989D+01
               116           117           118           119           120 
      1   0.148503D+01 -0.823683D+01  0.971842D+01 -0.113151D+00 -0.301727D+01
      2  -0.451413D+01 -0.117556D+02 -0.357586D+01 -0.836973D+00  0.127250D+02
      3   0.445032D+01  0.350375D+01 -0.115843D+02  0.300198D+00 -0.778791D+01
               121           122           123           124           125 
      1  -0.322366D+01 -0.109571D+02 -0.758649D+01 -0.311339D+01 -0.201470D+01
      2  -0.617179D+00  0.783843D+00  0.439425D+01  0.761623D+01  0.531717D+01
      3   0.726285D+01  0.144231D+02  0.699184D+00 -0.636184D+01 -0.181517D+01
               126           127           128           129           130 
      1   0.362029D+01 -0.509893D+00 -0.221600D+01 -0.115676D+01 -0.145911D+01
      2  -0.181775D+01  0.795102D+00  0.228514D+00  0.341482D+01  0.162802D+01
      3  -0.223755D+01  0.113772D+01 -0.381617D+01 -0.135907D+01  0.608526D+00
               131           132           133           134           135 
      1  -0.698564D+00 -0.149385D+01  0.484453D+00  0.197311D+01  0.628079D+00
      2  -0.224729D+00  0.263821D+01 -0.213382D+01  0.182431D+01 -0.348403D+01
      3  -0.963902D+00  0.145962D+01 -0.329718D+01  0.263574D+01 -0.206208D+00
               136           137           138           139           140 
      1  -0.664907D+00  0.495061D+00  0.190797D+00  0.422889D+00 -0.101260D+02
      2  -0.742445D+00  0.816038D+00  0.145254D+01  0.212481D+01 -0.893089D+00
      3  -0.112327D+01 -0.130606D+01  0.854620D+00  0.549646D+01  0.221408D+01
               141           142           143           144           145 
      1  -0.283919D+01  0.540839D+00 -0.264698D+00 -0.179519D+00  0.129097D+01
      2  -0.287819D+00 -0.492468D+00 -0.307774D+00 -0.125991D+00  0.129595D+01
      3   0.289128D+00  0.770264D+00  0.101873D+01  0.260148D+00  0.993197D+00
               146           147           148           149           150 
      1   0.197698D+00  0.255189D+01 -0.417264D+00  0.125645D+01  0.400690D+01
      2  -0.517508D+00 -0.985095D+00 -0.182850D+01  0.283107D-01 -0.508245D+00
      3  -0.181832D+01 -0.162002D+01 -0.188609D+00 -0.231993D+00 -0.994176D+00
               151           152           153           154           155 
      1   0.691096D+00  0.437422D+01  0.129775D+02 -0.438618D+01 -0.323964D+01
      2  -0.336653D+01  0.356605D+00 -0.213612D+00  0.830032D+01  0.177827D+01
      3  -0.128478D+01 -0.346680D+00 -0.234651D+01 -0.215735D+01 -0.745069D+00
               156           157           158           159           160 
      1   0.430958D+01 -0.179820D+01 -0.231827D+01  0.162879D+01  0.376891D+01
      2  -0.604257D+01  0.218381D+01  0.226318D+01 -0.176679D+01 -0.822655D+01
      3   0.247625D+01  0.418243D+00 -0.885262D+00 -0.699930D+00  0.217450D+01
               161           162           163           164           165 
      1   0.436779D+01 -0.710815D+01 -0.575711D+01  0.265806D+01 -0.288629D+01
      2  -0.166220D+01  0.941963D+01 -0.297753D+01  0.104823D+01  0.378106D+01
      3  -0.291938D+00 -0.212614D+01  0.114437D+02 -0.638692D+01  0.425524D+01
               166           167           168           169           170 
      1   0.195208D+01 -0.994380D+00  0.928760D+00 -0.241544D+01  0.200702D+01
      2   0.682966D+00 -0.116051D+00 -0.180168D+01 -0.170808D+01 -0.614669D+00
      3  -0.348154D+01  0.193793D+01 -0.139461D+01  0.358859D+01 -0.130066D+01
               171           172           173           174           175 
      1  -0.268330D+01 -0.219344D+00  0.293221D+00  0.370489D+00  0.671424D+00
      2   0.227923D+01  0.791205D+00 -0.592787D+00 -0.923661D-01 -0.977383D+00
      3   0.307478D+01 -0.510650D+00 -0.102175D+00  0.797473D+00  0.273691D+01
               176           177           178           179           180 
      1   0.972310D+01 -0.443788D+01  0.568866D+00 -0.742278D-01  0.743682D+00
      2   0.143494D+01  0.236533D+01 -0.131170D+01  0.105189D+01  0.148041D+00
      3  -0.169268D+02 -0.122724D+01  0.719703D-01  0.555424D+00 -0.172644D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.221319D+02  0.154665D+02 -0.283205D+01  0.213451D+02 -0.853792D+01
      2   0.845155D+01 -0.484306D+01 -0.291895D+01 -0.147557D+02  0.210347D+01
      3   0.136804D+02 -0.106234D+02  0.575100D+01 -0.658936D+01  0.643445D+01
      4   0.267375D+02 -0.103034D+02 -0.943880D+01 -0.169784D+02 -0.151485D+01
      5   0.873487D+01 -0.663563D+01 -0.270041D+01 -0.965758D+01  0.511134D+01
      6  -0.452918D+01  0.827670D+01  0.154644D+01  0.365793D+00 -0.574164D+01
                 6             7             8             9            10 
      1  -0.915183D+01  0.137650D+02 -0.106368D+02 -0.179448D+01 -0.142725D+01
      2   0.440430D+01 -0.646875D+01  0.195944D+01 -0.362587D+01 -0.212177D+01
      3   0.474754D+01 -0.729626D+01  0.867739D+01  0.542034D+01  0.354902D+01
      4   0.351970D+01 -0.138945D+02  0.113461D+02  0.107061D+02 -0.122819D+02
      5   0.835609D+01  0.294099D+01  0.592895D+01  0.126294D+02  0.116483D+02
      6  -0.745798D+01  0.390291D+01 -0.202109D+01  0.106429D+01  0.985711D+01
                11            12            13            14            15 
      1  -0.975585D+01  0.101188D+02 -0.653025D+01 -0.266348D+01  0.572507D+01
      2   0.611586D+01 -0.542305D+01  0.377917D+01  0.129700D+02 -0.364550D+01
      3   0.363998D+01 -0.469575D+01  0.275107D+01 -0.103065D+02 -0.207958D+01
      4  -0.986035D+01  0.932250D+01 -0.162369D+01 -0.353438D-01 -0.279074D+01
      5   0.680861D+01 -0.113158D+02  0.427201D+01 -0.186158D+01 -0.872052D+01
      6  -0.185227D+01 -0.737891D+01  0.178533D+01 -0.221647D+01 -0.622303D+01
                16            17            18            19            20 
      1   0.868100D+01  0.991022D+01 -0.346921D+00 -0.447815D+01 -0.213001D+01
      2  -0.432317D+01 -0.559216D+01 -0.150728D+01  0.686980D+01  0.362126D+01
      3  -0.435783D+01 -0.431806D+01  0.185420D+01 -0.239165D+01 -0.149126D+01
      4   0.109757D+02 -0.681091D+01 -0.201601D+02 -0.533808D+01 -0.163249D+01
      5  -0.132571D+02 -0.135229D+02 -0.738806D+01  0.178081D+01 -0.179100D+01
      6  -0.109257D+02 -0.151634D+02 -0.141338D+02 -0.752163D+01 -0.123180D+00
                21            22            23            24            25 
      1   0.227251D+01 -0.186351D+01  0.292971D+02 -0.399592D+00  0.329262D+01
      2  -0.736951D-01  0.550782D+01 -0.531013D+02  0.605042D+01  0.581373D+00
      3  -0.219881D+01 -0.364430D+01  0.238042D+02 -0.565083D+01 -0.387400D+01
      4  -0.445475D+01  0.632784D+01  0.122357D+02 -0.193162D+01 -0.494341D+01
      5  -0.175294D+01 -0.186827D+00 -0.140023D+01 -0.639504D+00  0.140359D+01
      6   0.540121D+01 -0.245073D+01  0.967022D+01  0.808718D+01  0.426054D+01
                26            27            28            29            30 
      1   0.376096D+00  0.502413D+01 -0.251554D+02  0.157080D+02 -0.104267D+02
      2  -0.622469D+00  0.121237D+02  0.580699D+01 -0.892435D+01  0.703168D+01
      3   0.246373D+00 -0.171478D+02  0.193484D+02 -0.678362D+01  0.339499D+01
      4   0.153043D+01  0.291343D+01  0.226241D+02 -0.677474D+01  0.589044D+01
      5  -0.593971D+00 -0.463410D+01 -0.100937D+02  0.428281D+00  0.423698D+01
      6   0.759901D+01  0.185774D+02  0.308119D+01  0.108415D+01 -0.340528D+01
                31            32            33            34            35 
      1   0.957918D+01 -0.248372D+01  0.633255D+01 -0.120488D+02  0.663551D+01
      2  -0.466843D+01  0.847215D+01  0.924584D+00  0.631666D+01  0.478635D+01
      3  -0.491075D+01 -0.598843D+01 -0.725714D+01  0.573212D+01 -0.114219D+02
      4  -0.960694D+01 -0.667180D+01  0.777786D+00  0.105443D+02  0.398912D+01
      5   0.475174D+00 -0.254588D+01  0.647866D+01  0.999454D+00  0.101856D+02
      6  -0.968966D+00 -0.302419D+01 -0.103248D+02  0.963651D+00 -0.974013D+01
                36            37            38            39            40 
      1   0.111931D+02  0.367346D+00 -0.102538D+02  0.165156D+02 -0.575875D+01
      2   0.577298D+00  0.231650D+01  0.633656D+01 -0.109098D+02  0.385646D+01
      3  -0.117704D+02 -0.268384D+01  0.391722D+01 -0.560584D+01  0.190230D+01
      4   0.112544D+02 -0.857076D+01 -0.573763D+01  0.679668D+01 -0.783283D+01
      5   0.133611D+02  0.205031D+02  0.617722D+01 -0.152296D+02  0.201529D+01
      6  -0.213747D+02  0.948322D+01 -0.501045D+00 -0.592190D+01  0.350792D+01
                41            42            43            44            45 
      1  -0.631709D+01 -0.143615D+01  0.113957D+02  0.262370D+01 -0.113811D+02
      2   0.914052D+01 -0.181472D+00 -0.922399D+01 -0.712071D+01  0.342587D+01
      3  -0.282343D+01  0.161762D+01 -0.217168D+01  0.449701D+01  0.795522D+01
      4   0.565360D+01  0.226748D+01  0.396454D+01 -0.329171D+01 -0.180376D+02
      5   0.474516D+01 -0.108366D+02 -0.166987D+02 -0.147865D+02  0.380036D+01
      6   0.259791D+00 -0.741862D+01 -0.100821D+02 -0.583355D+01  0.164654D+01
                46            47            48            49            50 
      1   0.108692D+01 -0.619570D+01  0.290832D+01 -0.271330D+01  0.154128D+02
      2  -0.163416D+01  0.809874D+01  0.378354D+01  0.402995D+01 -0.280136D+02
      3   0.547244D+00 -0.190304D+01 -0.669187D+01 -0.131665D+01  0.126007D+02
      4  -0.607522D+01 -0.839184D+00 -0.698981D-01  0.360131D+01  0.906428D+01
      5  -0.528127D+01 -0.396204D+00  0.241461D+01 -0.299379D+00 -0.296505D+01
      6  -0.558575D+01 -0.497302D+01  0.313548D+01 -0.286546D+01  0.103339D+02
                51            52            53            54            55 
      1   0.702169D+01 -0.268115D+01  0.563148D+01  0.168236D+02  0.608594D+02
      2   0.749045D+01  0.183111D+01  0.167243D+01  0.139409D+02 -0.279343D+02
      3  -0.145121D+02  0.850037D+00 -0.730391D+01 -0.307644D+02 -0.329251D+02
      4  -0.496612D+00  0.693083D+00 -0.155531D+00 -0.156858D+00 -0.372480D+02
      5   0.805934D+00  0.396613D+01 -0.724806D+00 -0.636187D+01 -0.138235D+02
      6   0.540441D+01  0.105582D+01  0.539525D+01  0.301737D+01  0.547266D+01
                56            57            58            59            60 
      1  -0.179175D+02 -0.821458D+01 -0.200895D+02  0.937780D+01  0.247461D+01
      2   0.414012D+01  0.695095D+01  0.596836D+01  0.441362D+01 -0.335148D+00
      3   0.137774D+02  0.126363D+01  0.141212D+02 -0.137914D+02 -0.213947D+01
      4   0.262679D+02  0.791021D+01  0.311625D+02 -0.243316D+02 -0.817806D+01
      5   0.576187D+01  0.154354D+02  0.857379D+01 -0.683316D+01 -0.999332D+01
      6  -0.380700D+01 -0.582596D+01 -0.417719D+01  0.897310D+01  0.107084D+02
                61            62            63            64            65 
      1  -0.122691D+02  0.434780D+01  0.519827D+01  0.218967D+02  0.633154D+01
      2   0.957869D+01 -0.320694D+00 -0.831965D+01 -0.917175D+01  0.736852D-02
      3   0.269039D+01 -0.402711D+01  0.312138D+01 -0.127249D+02 -0.633891D+01
      4   0.134536D+02 -0.954518D+01 -0.134996D+02  0.242715D+02  0.162359D+02
      5   0.201970D+02 -0.118867D+02 -0.190315D+02 -0.142328D+02 -0.602329D+01
      6  -0.848276D+01  0.121450D+02  0.734016D+01 -0.785037D+01 -0.415399D+01
                66            67            68            69            70 
      1  -0.749162D+01  0.815622D+00 -0.226521D+00  0.852785D+00 -0.832639D+01
      2   0.433403D+01  0.432988D+01  0.477643D+01 -0.292305D+01  0.528441D+01
      3   0.315759D+01 -0.514550D+01 -0.454991D+01  0.207026D+01  0.304198D+01
      4  -0.989687D+01  0.125005D+02  0.109046D+02 -0.531216D+01 -0.141164D+02
      5   0.113038D+02 -0.283184D+01 -0.452850D+01  0.354628D+01  0.135914D+02
      6   0.649082D+01 -0.401198D+01 -0.511060D+01  0.631712D+01  0.844941D+01
                71            72            73            74            75 
      1  -0.132343D+01  0.193695D+01  0.132005D+01  0.353267D+01  0.198366D+01
      2  -0.122441D+01 -0.388550D+01  0.106641D+00 -0.118784D+01 -0.198649D+01
      3   0.254784D+01  0.194855D+01 -0.142669D+01 -0.234484D+01  0.282717D-02
      4  -0.933091D+01  0.116030D+02  0.776450D+01  0.809439D+01  0.551968D+01
      5   0.806271D+01 -0.123318D+02  0.542811D+01  0.311230D+01  0.759912D+01
      6   0.809133D+01 -0.815765D+01  0.436162D+01  0.303464D+01  0.373379D+01
                76            77            78            79            80 
      1   0.139525D+01 -0.662896D+01 -0.444227D+01  0.274340D+01 -0.703574D+01
      2   0.779627D+00  0.835136D+01  0.493760D+01 -0.238996D+01  0.631993D+01
      3  -0.217488D+01 -0.172240D+01 -0.495326D+00 -0.353439D+00  0.715807D+00
      4   0.708732D+01  0.947322D+01  0.763516D+01  0.855460D+01  0.141752D+02
      5   0.196173D+01  0.619134D+01  0.582563D+01  0.100479D+02  0.105849D+02
      6   0.361097D+01  0.101196D+02  0.118437D+02  0.797459D+01  0.161010D+02
                81            82            83            84            85 
      1  -0.700882D+01  0.171736D+01  0.424209D+00 -0.168536D+00  0.127837D+00
      2  -0.149244D+01 -0.489047D+01 -0.103618D+01 -0.100334D+01 -0.159885D+01
      3   0.850126D+01  0.317311D+01  0.611969D+00  0.117187D+01  0.147101D+01
      4   0.147958D+02 -0.636170D+00  0.221403D+01 -0.176809D+01 -0.338260D+00
      5   0.186801D+02  0.229821D+01  0.529760D+00  0.783217D+01  0.548009D+00
      6   0.225565D+02 -0.144802D+01  0.120494D+01 -0.287541D+01  0.652528D+00
                86            87            88            89            90 
      1  -0.324587D+01  0.113152D+00 -0.149863D+01  0.322594D+01 -0.167818D+02
      2   0.325544D+01 -0.494878D+01 -0.254710D+01 -0.426286D+01 -0.143509D+02
      3  -0.956127D-02  0.483563D+01  0.404573D+01  0.103692D+01  0.311327D+02
      4  -0.785380D+00  0.106443D+01 -0.353030D+01  0.171725D+01 -0.190539D+01
      5   0.107628D+01  0.919507D+00  0.513905D+01  0.467536D-01  0.746837D+01
      6  -0.240552D+01 -0.607455D-01 -0.309341D+01  0.592918D+01 -0.232768D+02
                91            92            93            94            95 
      1  -0.238183D+01  0.147108D+01 -0.464025D+00  0.316764D+01 -0.445848D+02
      2   0.698867D+01 -0.414419D+01  0.218924D+00 -0.605959D+01  0.788502D+02
      3  -0.460684D+01  0.267310D+01  0.245101D+00  0.289195D+01 -0.342654D+02
      4  -0.219525D+01  0.116625D+02 -0.692080D+00  0.936689D+01 -0.129875D+02
      5   0.151579D+00 -0.184985D+01  0.190549D+01 -0.144102D+01  0.264890D+01
      6  -0.275574D+00  0.673106D+00 -0.906338D+00  0.142213D+01 -0.148192D+02
                96            97            98            99           100 
      1   0.511286D+01 -0.246258D+00  0.425768D+00 -0.552121D+01  0.466839D+02
      2  -0.692459D+01 -0.421213D+00  0.100891D+01  0.523493D+01 -0.193199D+02
      3   0.181173D+01  0.667470D+00 -0.143468D+01  0.286283D+00 -0.273640D+02
      4   0.129668D+01  0.571115D+00 -0.190306D+00 -0.142604D+01 -0.325969D+02
      5  -0.974001D+00  0.105885D+01 -0.790657D+00  0.624322D+00  0.329872D+01
      6   0.875955D+01 -0.146933D+01  0.985603D+01 -0.321679D+01 -0.559364D+00
               101           102           103           104           105 
      1  -0.111425D+02  0.549158D+01 -0.623669D+01  0.504323D+01 -0.881102D+00
      2   0.106774D+01 -0.222095D+01 -0.194579D+01  0.188151D+01 -0.107715D+01
      3   0.100748D+02 -0.327062D+01  0.818248D+01 -0.692474D+01  0.195825D+01
      4   0.177541D+02 -0.356198D+01  0.167918D+02 -0.105690D+02  0.225719D+01
      5  -0.468009D+00  0.692181D+01 -0.530004D+00  0.163990D+01 -0.226490D+01
      6  -0.319238D+00 -0.276800D+01  0.246201D+00 -0.850085D+00  0.345333D+01
               106           107           108           109           110 
      1   0.938223D+01 -0.282276D+01  0.343038D+01  0.165100D+01 -0.396824D+01
      2  -0.393932D+01 -0.114216D+01 -0.254269D+01 -0.150221D+01  0.239276D+01
      3  -0.544291D+01  0.396492D+01 -0.887693D+00 -0.148793D+00  0.157547D+01
      4  -0.895785D+01  0.474028D+01 -0.556572D+01 -0.346775D+01  0.288454D+01
      5   0.861787D+01 -0.394886D+01  0.313754D+01 -0.157671D+01  0.173508D+01
      6  -0.351763D+01  0.365643D+01 -0.371702D+00  0.267019D+01  0.665912D+00
               111           112           113           114           115 
      1  -0.242794D+01 -0.198304D+01 -0.742706D+01 -0.653858D+01 -0.148812D+01
      2   0.120332D+01  0.101390D+01  0.574123D+01  0.375141D+01  0.204985D+01
      3   0.122463D+01  0.969141D+00  0.168583D+01  0.278717D+01 -0.561728D+00
      4   0.221687D+01  0.464870D+01 -0.442589D+01 -0.582487D+01  0.412006D+01
      5   0.426091D+01  0.229838D+01 -0.468225D+01 -0.543447D+01  0.712203D+01
      6   0.228319D+01 -0.153828D+01  0.109458D+02  0.146534D+02 -0.353656D+01
               116           117           118           119           120 
      1  -0.823912D+01 -0.158517D+02 -0.241488D+02  0.831154D+01 -0.244633D+02
      2   0.197084D+01 -0.846400D+01  0.241522D+02 -0.432854D+01  0.711943D+01
      3   0.626828D+01  0.243157D+02 -0.339597D-02 -0.398300D+01  0.173438D+02
      4  -0.876463D+01 -0.108277D+02  0.854908D+00  0.543191D+01 -0.528057D+01
      5  -0.897929D+01 -0.204852D+02 -0.222176D+02  0.452125D+01 -0.374796D+01
      6   0.148480D+02  0.266819D+02 -0.302018D+01  0.146752D+00  0.573881D+01
               121           122           123           124           125 
      1   0.144546D+02  0.148564D+02  0.130916D+01 -0.209152D+02 -0.205207D+01
      2  -0.110050D+02 -0.349931D+02 -0.668767D+01  0.761227D+01 -0.133159D+01
      3  -0.344963D+01  0.201367D+02  0.537852D+01  0.133029D+02  0.338366D+01
      4   0.408650D+01 -0.233760D+02  0.132385D+01 -0.419709D+01  0.539086D+01
      5   0.775145D+01  0.885181D+00  0.748134D+01 -0.188372D+01  0.928093D+01
      6   0.348576D+00 -0.814410D+01  0.794909D+01  0.732395D+01  0.717088D+01
               126           127           128           129           130 
      1   0.340440D+01  0.218548D+02  0.646504D+01 -0.113360D+02  0.477787D+01
      2   0.445297D+01 -0.155059D+02 -0.398945D+01  0.101386D+02 -0.130428D+01
      3  -0.785738D+01 -0.634886D+01 -0.247559D+01  0.119737D+01 -0.347358D+01
      4   0.144249D+02  0.158197D+02  0.106054D+02 -0.829810D+01  0.118174D+02
      5   0.556018D+01 -0.228506D+02 -0.694174D+01  0.194733D+02 -0.657272D+01
      6   0.480766D+01 -0.790620D+01 -0.416492D+01  0.739143D+01 -0.547389D+01
               131           132           133           134           135 
      1   0.220587D+01 -0.121723D+01 -0.907958D+01 -0.163987D+01  0.491850D+01
      2   0.974925D-01  0.271445D+00  0.107938D+02  0.312007D+01 -0.126447D+02
      3  -0.230337D+01  0.945782D+00 -0.171425D+01 -0.148020D+01  0.772621D+01
      4   0.829605D+01 -0.697690D+01 -0.920335D+01 -0.636900D+01  0.100182D+02
      5  -0.764752D+01  0.750856D+01  0.208189D+02  0.882978D+01 -0.225367D+02
      6  -0.611589D+01  0.861346D+01  0.771201D+01  0.710446D+01 -0.103693D+02
               136           137           138           139           140 
      1  -0.190705D+00  0.196392D+01 -0.988879D+00  0.129394D+01 -0.267076D+02
      2   0.420025D+01 -0.430605D+01  0.476634D+00 -0.274859D+01  0.430885D+02
      3  -0.400955D+01  0.234213D+01  0.512245D+00  0.145465D+01 -0.163809D+02
      4  -0.233439D+01  0.103826D+02 -0.144576D+01  0.698245D+01 -0.746729D+01
      5   0.827087D+00 -0.342600D+01  0.222782D+01 -0.248558D+01  0.316747D+01
      6  -0.178910D+01  0.253582D+01 -0.120057D+01  0.279027D+01 -0.190224D+02
               141           142           143           144           145 
      1   0.549218D+01 -0.337613D+00  0.146149D+00 -0.499009D+01 -0.274791D+00
      2  -0.494131D+01 -0.523897D+00  0.237254D+01  0.201091D+01 -0.462723D+01
      3  -0.550866D+00  0.861510D+00 -0.251869D+01  0.297917D+01  0.490202D+01
      4   0.175170D+01  0.726890D-02 -0.129583D+01 -0.721267D+00  0.111006D+01
      5  -0.136754D+01  0.931821D+00 -0.419297D+00  0.711072D+00  0.312178D+01
      6   0.959681D+01 -0.838262D+00  0.707178D+01 -0.299177D+01 -0.355450D+00
               146           147           148           149           150 
      1   0.932380D+00 -0.194109D+01  0.135720D+01 -0.403077D+01 -0.482650D+01
      2  -0.251063D+00 -0.283509D+01 -0.752594D+00  0.986335D-01 -0.588896D+01
      3  -0.681318D+00  0.477618D+01 -0.604604D+00  0.393214D+01  0.107155D+02
      4   0.155644D+01 -0.188944D+01 -0.367761D+00  0.594500D-01  0.638497D+00
      5   0.457893D+00  0.930154D+01  0.149688D+01  0.953073D+00  0.201645D+01
      6   0.137046D+01 -0.205389D+01  0.771653D+00  0.157102D-01  0.374635D+01
               151           152           153           154           155 
      1   0.231509D+00  0.624954D+00 -0.280936D+02 -0.344681D+01 -0.491294D+00
      2  -0.259534D+01 -0.296022D+01 -0.221065D+02 -0.366045D+01 -0.137056D+01
      3   0.236383D+01  0.233526D+01  0.502001D+02  0.710726D+01  0.186185D+01
      4  -0.261831D+01  0.638275D+00 -0.173149D+01 -0.628168D+01 -0.252806D+01
      5   0.624166D+01  0.127151D+00  0.897242D+01 -0.213528D+01 -0.153472D+01
      6  -0.113299D+01  0.581376D+01 -0.127234D+02  0.162090D+01 -0.319229D+01
               156           157           158           159           160 
      1   0.111395D+02 -0.283918D+01 -0.447774D+01  0.920775D+00  0.100365D+02
      2   0.192747D+01  0.127537D+01  0.403395D+01  0.312792D+01  0.831839D+00
      3  -0.130670D+02  0.156381D+01  0.443795D+00 -0.404869D+01 -0.108684D+02
      4   0.348832D+01 -0.122117D+01  0.592153D+00  0.102801D+01  0.535536D+01
      5   0.384705D+00 -0.183977D+01 -0.256103D+00 -0.215704D+01  0.423557D+01
      6  -0.606478D+01 -0.143805D+01  0.595611D+00  0.117581D+01 -0.219751D+01
               161           162           163           164           165 
      1   0.549445D+00 -0.148424D+02  0.481926D+02 -0.408295D+01  0.143731D+02
      2   0.245913D+01 -0.887240D+01 -0.318189D+02  0.479028D+01 -0.129507D+02
      3  -0.300858D+01  0.237148D+02 -0.163737D+02 -0.707329D+00 -0.142239D+01
      4   0.251611D+01 -0.465572D+01  0.119235D+02  0.782155D+01  0.512122D+01
      5   0.182722D+00  0.384363D+01  0.292758D+02 -0.100905D+01  0.184341D+02
      6   0.366109D+01  0.803815D+01  0.306692D+01  0.406372D+01  0.317293D+01
               166           167           168           169           170 
      1  -0.108870D+02  0.365657D+01 -0.321819D+01  0.102952D+02 -0.174090D+00
      2   0.840367D+01 -0.107070D+00  0.416095D+01 -0.103118D+02  0.127372D+01
      3   0.248328D+01 -0.354950D+01 -0.942757D+00  0.166374D-01 -0.109963D+01
      4   0.449844D+01  0.593487D-01  0.151157D+01  0.370761D+01  0.133853D+01
      5  -0.671640D+01  0.318103D+01 -0.529046D+01  0.161116D+02 -0.165764D+01
      6   0.223096D+01 -0.362331D+00  0.611035D+00  0.200763D+01  0.174475D+01
               171           172           173           174           175 
      1   0.614099D+01  0.237772D+01  0.344177D+01  0.271588D+01  0.153157D+01
      2  -0.100293D+02  0.110839D+01 -0.124480D+01 -0.124467D+01  0.400540D+01
      3   0.388828D+01 -0.348611D+01 -0.219697D+01 -0.147121D+01 -0.553697D+01
      4   0.110037D+01  0.450328D+01  0.777084D+01  0.814975D+00  0.123765D+02
      5   0.119046D+02  0.271640D+01  0.827806D+00  0.170498D+01  0.316840D+01
      6   0.206284D+01  0.122701D+01  0.307549D-01 -0.493059D+00  0.276550D+01
               176           177           178           179           180 
      1  -0.231891D+02 -0.343311D+01  0.685425D+00 -0.762868D+00 -0.391832D+01
      2   0.502823D+02  0.281399D+01 -0.517640D+00 -0.255580D+01  0.361473D+01
      3  -0.270932D+02  0.619125D+00 -0.167785D+00  0.331867D+01  0.303589D+00
      4   0.344094D+02  0.401220D+01 -0.485965D+00 -0.162819D+01  0.187131D+01
      5   0.312058D+01  0.473995D+01  0.169479D+01  0.266415D+01 -0.350557D+00
      6   0.171832D+02  0.925559D+01  0.208734D+00  0.757655D+01  0.110760D+01
 Leave Link  716 at Thu Jul  8 18:23:09 2021, MaxMem= 10737418240 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.932791D+02 -0.141693D+01 -0.242671D+01
      2  -0.141693D+01  0.910064D+02  0.284571D+00
      3  -0.242671D+01  0.284571D+00  0.786900D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.830344D+00  0.415715D+01 -0.339116D+01
      2  -0.136884D+02 -0.623476D+00 -0.171794D+02
      3   0.111412D+02  0.108153D+02  0.183263D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.284328D+02 -0.195364D+02 -0.274459D+02
      2   0.165844D+02  0.218268D+02  0.118783D+01
      3   0.118484D+02 -0.229036D+01  0.262581D+02
      4  -0.181533D+01 -0.228612D+02 -0.245556D+01
      5  -0.236500D+02 -0.220650D+01 -0.362169D+02
      6   0.428214D+00 -0.252548D+01  0.823881D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.293926D+01  0.532361D+01  0.728544D+00  0.504610D+01 -0.139417D+01
      2   0.532361D+01  0.493595D+00 -0.288038D+01 -0.139417D+01 -0.421319D+01
      3   0.728544D+00 -0.288038D+01  0.109265D+01 -0.248519D+01  0.187284D+01
                 6             7             8             9            10 
      1  -0.248519D+01  0.121900D+01 -0.308594D+01  0.134021D+00 -0.119207D+00
      2   0.187284D+01 -0.308594D+01  0.842342D+00  0.221390D+01 -0.428859D+01
      3   0.187255D+01  0.134021D+00  0.221390D+01  0.851235D+00  0.272357D+01
                11            12            13            14            15 
      1  -0.428859D+01  0.272357D+01 -0.372762D+01  0.541401D+00  0.783381D+00
      2  -0.373971D+00  0.767559D+00  0.541401D+00  0.349031D+01 -0.172034D+01
      3   0.767559D+00 -0.283703D+01  0.783381D+00 -0.172034D+01 -0.242664D+01
                16            17            18            19            20 
      1   0.444520D+01  0.622441D+00 -0.355584D+01 -0.322710D+01  0.331651D+01
      2   0.622441D+00 -0.176090D+01 -0.368973D+01  0.331651D+01 -0.534376D+00
      3  -0.355584D+01 -0.368973D+01 -0.340486D+01 -0.176925D+01 -0.147303D+00
                21            22            23            24            25 
      1  -0.176925D+01  0.231317D+01  0.102577D+01 -0.120513D+00 -0.228934D+01
      2  -0.147303D+00  0.102577D+01 -0.857161D+01  0.752560D+00  0.832909D-01
      3   0.180095D+01 -0.120513D+00  0.752560D+00  0.221267D+01  0.189823D+01
                26            27            28            29            30 
      1   0.832909D-01  0.189823D+01  0.680776D+01 -0.392836D+01  0.297293D+01
      2  -0.739775D+00  0.202561D+01 -0.392836D+01  0.920486D-01 -0.128464D+00
      3   0.202561D+01  0.646125D+01  0.297293D+01 -0.128464D+00 -0.104460D+01
                31            32            33            34            35 
      1  -0.352476D+01 -0.141211D+00  0.122260D-01  0.441610D+01 -0.391447D+00
      2  -0.141211D+00  0.457629D+01 -0.425172D+00 -0.391447D+00 -0.892964D+00
      3   0.122260D-01 -0.425172D+00 -0.282341D+01 -0.566741D+00 -0.407171D+01
                36            37            38            39            40 
      1  -0.566741D+00 -0.438884D+01  0.328759D+01 -0.399229D+01  0.442973D+01
      2  -0.407171D+01  0.328759D+01  0.996065D+00  0.158906D+00  0.100309D+01
      3  -0.624259D+01 -0.399229D+01  0.158906D+00  0.280273D+01 -0.733571D-01
                41            42            43            44            45 
      1   0.100309D+01 -0.733571D-01 -0.498133D+01 -0.644444D-01  0.392814D+01
      2  -0.519492D+01 -0.811327D-01 -0.644444D-01  0.442620D+00  0.424988D+01
      3  -0.811327D-01  0.361862D+01  0.392814D+01  0.424988D+01  0.155532D+01
                46            47            48            49            50 
      1   0.442099D+01 -0.319716D+01  0.174035D+01 -0.238045D+01 -0.207944D+01
      2  -0.319716D+01 -0.215230D+01  0.819182D+00 -0.207944D+01  0.796154D+01
      3   0.174035D+01  0.819182D+00 -0.150683D+01  0.406434D+00 -0.324013D+00
                51            52            53            54            55 
      1   0.406434D+00  0.131032D+01  0.234312D+00 -0.107099D+01  0.110977D+02
      2  -0.324013D+00  0.234312D+00  0.108624D+01 -0.257925D+01 -0.515856D+01
      3  -0.330672D+01 -0.107099D+01 -0.257925D+01 -0.574397D+01 -0.265469D+01
                56            57            58            59            60 
      1  -0.515856D+01 -0.265469D+01 -0.516628D+01  0.443678D+01  0.172377D+01
      2   0.255778D+01  0.152477D+01  0.443678D+01 -0.373630D+01 -0.214955D+01
      3   0.152477D+01  0.115666D+01  0.172377D+01 -0.214955D+01 -0.161291D+01
                61            62            63            64            65 
      1  -0.351529D+01  0.225114D+01  0.334573D+01  0.600645D+01  0.267621D+01
      2   0.225114D+01 -0.166110D+01 -0.281936D+01  0.267621D+01  0.217570D+01
      3   0.334573D+01 -0.281936D+01 -0.323974D+01 -0.252077D+01 -0.107055D+01
                66            67            68            69            70 
      1  -0.252077D+01  0.181173D+01  0.166386D+01 -0.542644D+00 -0.369082D+01
      2  -0.107055D+01  0.166386D+01  0.146690D+01 -0.880508D+00 -0.143086D+01
      3   0.190849D+01 -0.542644D+00 -0.880508D+00  0.926389D+00  0.259498D+01
                71            72            73            74            75 
      1  -0.143086D+01  0.259498D+01  0.895787D+00  0.168317D+01  0.101662D+01
      2  -0.159625D+01  0.182993D+01  0.168317D+01  0.605599D+00  0.558632D+00
      3   0.182993D+01 -0.254332D+01  0.101662D+01  0.558632D+00  0.967739D+00
                76            77            78            79            80 
      1   0.144151D+01  0.734076D+00  0.564107D+00  0.174892D+01  0.922160D+00
      2   0.734076D+00  0.236704D+01  0.200075D+01  0.922160D+00  0.345913D+01
      3   0.564107D+00  0.200075D+01  0.201481D+01  0.209972D+01  0.292558D+01
                81            82            83            84            85 
      1   0.209972D+01 -0.287281D+00 -0.472239D+00 -0.868341D+00 -0.850823D+00
      2   0.292558D+01 -0.472239D+00 -0.136337D+00  0.637669D-01 -0.476519D+00
      3   0.571490D+01 -0.868341D+00  0.637669D-01 -0.840750D+00 -0.223301D+00
                86            87            88            89            90 
      1  -0.476519D+00 -0.223301D+00 -0.151683D+01 -0.140341D+00 -0.125266D+01
      2   0.198875D+00 -0.107640D+01 -0.140341D+00 -0.122246D+01  0.294636D+00
      3  -0.107640D+01 -0.120997D+01 -0.125266D+01  0.294636D+00 -0.807735D+01
                91            92            93            94            95 
      1  -0.131744D+00  0.127941D+01  0.136813D+00  0.151819D+01 -0.119110D+01
      2   0.127941D+01 -0.759371D+00  0.640898D-01 -0.119110D+01  0.127552D+02
      3   0.136813D+00  0.640898D-01 -0.338632D+00  0.130878D+00 -0.137071D+01
                96            97            98            99           100 
      1   0.130878D+00  0.436175D+00 -0.244369D-01 -0.397319D+00 -0.983252D+01
      2  -0.137071D+01 -0.244369D-01  0.142329D+00  0.119065D+01  0.306301D+01
      3   0.867611D+00 -0.397319D+00  0.119065D+01 -0.840073D+00 -0.120198D+01
               101           102           103           104           105 
      1   0.306301D+01 -0.120198D+01  0.221177D+01 -0.203054D+01  0.142924D+00
      2  -0.228324D+01  0.283864D+00 -0.203054D+01  0.116160D+01 -0.347405D+00
      3   0.283864D+00 -0.101926D+01  0.142924D+00 -0.347405D+00  0.644514D+00
               106           107           108           109           110 
      1  -0.262155D+01  0.787548D+00 -0.140022D+01 -0.521721D+00  0.972696D+00
      2   0.787548D+00 -0.928606D+00  0.102758D+01  0.972696D+00  0.282581D+00
      3  -0.140022D+01  0.102758D+01 -0.272711D+00  0.775974D+00  0.699575D-01
               111           112           113           114           115 
      1   0.775974D+00  0.902884D+00 -0.155284D+00 -0.361644D+00  0.105958D+01
      2   0.699575D-01 -0.155284D+00  0.164963D+01  0.203187D+01 -0.261346D+00
      3   0.469099D+00 -0.361644D+00  0.203187D+01  0.237771D+01 -0.877868D+00
               116           117           118           119           120 
      1  -0.261346D+00 -0.877868D+00  0.500524D+01 -0.212941D+01  0.417567D+01
      2   0.290616D+01  0.320846D+01 -0.212941D+01 -0.527417D+00 -0.531007D+00
      3   0.320846D+01  0.790307D+01  0.417567D+01 -0.531007D+00 -0.162679D+01
               121           122           123           124           125 
      1  -0.313347D+01  0.339930D+00 -0.100176D+01  0.339020D+01 -0.580729D+00
      2   0.339930D+00  0.776398D+01 -0.128716D+00 -0.580729D+00 -0.161413D+01
      3  -0.100176D+01 -0.128716D+00 -0.280504D+01 -0.243416D+01 -0.302768D+01
               126           127           128           129           130 
      1  -0.243416D+01 -0.538573D+01 -0.210235D+01  0.326891D+01 -0.211945D+01
      2  -0.302768D+01 -0.210235D+01 -0.164460D+01  0.834411D+00 -0.182539D+01
      3  -0.570331D+00  0.326891D+01  0.834411D+00 -0.304344D+01  0.892090D+00
               131           132           133           134           135 
      1  -0.182539D+01  0.892090D+00  0.377575D+01  0.106418D+01 -0.334954D+01
      2  -0.111583D+01  0.130021D+01  0.106418D+01  0.142668D+01 -0.187290D+01
      3   0.130021D+01 -0.174375D+01 -0.334954D+01 -0.187290D+01  0.418140D+01
               136           137           138           139           140 
      1   0.195309D+00 -0.110901D+01 -0.110703D+00 -0.146425D+01  0.110207D+01
      2  -0.110901D+01  0.131830D+01 -0.390458D+00  0.110207D+01 -0.988610D+01
      3  -0.110703D+00 -0.390458D+00  0.294597D+00 -0.379711D+00  0.155812D+01
               141           142           143           144           145 
      1  -0.379711D+00 -0.394743D+00 -0.253663D-01  0.257617D+00 -0.454882D+00
      2   0.155812D+01 -0.253663D-01 -0.374329D+00 -0.986094D+00  0.512449D+00
      3  -0.123918D+01  0.257617D+00 -0.986094D+00  0.932347D+00  0.111279D+01
               146           147           148           149           150 
      1   0.512449D+00  0.111279D+01  0.129370D+01  0.403843D+00  0.578081D-01
      2   0.245315D+00 -0.212340D+00  0.403843D+00 -0.770875D-01  0.118789D+01
      3  -0.212340D+00  0.110293D+01  0.578081D-01  0.118789D+01  0.192388D+01
               151           152           153           154           155 
      1   0.143204D+01  0.987145D-01  0.914861D+00  0.215602D+01  0.813069D+00
      2   0.987145D-01  0.118190D+01  0.292125D+00  0.813069D+00  0.113799D+01
      3   0.914861D+00  0.292125D+00  0.974564D+01 -0.160911D+01  0.147894D+00
               156           157           158           159           160 
      1  -0.160911D+01  0.866842D+00  0.598702D+00 -0.559601D-01 -0.190891D+01
      2   0.147894D+00  0.598702D+00 -0.126851D+00 -0.572244D+00 -0.308810D+00
      3   0.274032D+01 -0.559601D-01 -0.572244D+00  0.928319D+00  0.144979D+01
               161           162           163           164           165 
      1  -0.308810D+00  0.144979D+01 -0.846750D+01  0.366364D+00 -0.345481D+01
      2  -0.997644D+00  0.238479D+00  0.366364D+00 -0.138560D+01 -0.357772D-01
      3   0.238479D+00 -0.463927D+01 -0.345481D+01 -0.357772D-01 -0.230721D+01
               166           167           168           169           170 
      1   0.190045D+01 -0.105168D+01  0.886469D+00 -0.221133D+01  0.178930D+00
      2  -0.105168D+01 -0.780281D-01 -0.402345D+00  0.178930D+00 -0.178211D+00
      3   0.886469D+00 -0.402345D+00  0.109556D+01 -0.181656D+01  0.297345D+00
               171           172           173           174           175 
      1  -0.181656D+01 -0.829472D+00 -0.908414D+00 -0.470224D+00 -0.136895D+01
      2   0.297345D+00 -0.908414D+00 -0.107760D+00  0.103256D+00 -0.150419D+01
      3  -0.174098D+01 -0.470224D+00  0.103256D+00  0.228390D+00 -0.355999D+00
               176           177           178           179           180 
      1  -0.150419D+01 -0.355999D+00 -0.103120D+00  0.710077D-01  0.988033D-01
      2  -0.103915D+02 -0.122569D+01  0.710077D-01  0.478959D+00 -0.747454D+00
      3  -0.122569D+01 -0.131501D+01  0.988033D-01 -0.747454D+00 -0.299711D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.774951D+01  0.989210D+01 -0.244258D+01  0.844335D+01 -0.145077D+01
      2  -0.955431D+01 -0.108173D+02 -0.438019D+00 -0.909575D+01  0.176860D+01
      3  -0.658710D+01 -0.947134D+01  0.434780D+01  0.823964D+00  0.131166D+01
                 6             7             8             9            10 
      1   0.693408D+01 -0.112357D+01  0.155418D+02 -0.459270D+01 -0.710900D+01
      2   0.131589D-01 -0.123025D+02 -0.207186D+01  0.116784D+02  0.913486D+01
      3  -0.726786D+01  0.187760D+01 -0.113315D+02  0.153232D+01  0.138430D+02
                11            12            13            14            15 
      1  -0.250221D+00  0.288452D+01 -0.295754D+01  0.231964D+01 -0.101094D+01
      2   0.195649D+01 -0.308773D+01  0.240004D+01 -0.303267D+01 -0.253701D+01
      3  -0.844207D+01  0.265244D+01 -0.105247D+01 -0.626028D+01  0.487620D+01
                16            17            18            19            20 
      1   0.347616D+01  0.949937D+01  0.688793D+01  0.543780D+01 -0.155157D+01
      2  -0.914404D+01 -0.446435D+01 -0.583765D+01 -0.116587D+01  0.148346D+01
      3   0.446236D+01  0.321532D+01 -0.297104D+00 -0.877021D+01  0.101545D+02
                21            22            23            24            25 
      1  -0.282099D+01  0.169999D+01  0.219886D+01 -0.734071D+01 -0.312781D+01
      2   0.307721D-01 -0.798023D+00  0.423745D+01 -0.121529D+01 -0.540641D+01
      3  -0.559259D+01  0.987018D+01  0.183513D+01 -0.216266D+01 -0.593364D+01
                26            27            28            29            30 
      1  -0.116202D+01 -0.135584D+02 -0.584322D+01  0.457980D+00  0.134023D+01
      2  -0.122250D+00  0.428455D+00 -0.108764D+02  0.165070D+01  0.255489D+01
      3  -0.165084D+01  0.370082D+01  0.915210D+00 -0.884710D+01  0.379444D+01
                31            32            33            34            35 
      1   0.841674D+00  0.391737D+01  0.226857D+01  0.353156D+00  0.763678D+01
      2   0.176066D+01  0.708709D+00  0.491643D+01 -0.415222D+01  0.675195D+01
      3  -0.237175D+01  0.746768D+01  0.110969D+00  0.500425D+01 -0.153036D+01
                36            37            38            39            40 
      1   0.563122D+01 -0.193047D+00  0.650789D+00  0.104038D+01  0.116620D+01
      2   0.881452D+01  0.147918D+02 -0.127086D+01  0.122574D+01 -0.701774D+01
      3  -0.643121D+01  0.859444D+01 -0.502141D+01  0.295353D+01 -0.139339D+01
                41            42            43            44            45 
      1  -0.362536D+01 -0.101806D+01 -0.113688D+01  0.664507D+01  0.269768D+01
      2  -0.199055D+01 -0.342398D+01 -0.155580D+01 -0.458743D+01 -0.290947D+01
      3  -0.107121D+02  0.147737D+01  0.560427D+01  0.145998D+01  0.288566D+01
                46            47            48            49            50 
      1  -0.105419D+01 -0.363810D+01 -0.245102D+01 -0.358823D+01  0.868714D+01
      2  -0.910027D+01  0.511095D+01  0.141629D+00  0.637835D+01  0.192952D+01
      3  -0.359967D+01  0.576877D+01 -0.297200D+01  0.117945D+02 -0.276250D+01
                51            52            53            54            55 
      1  -0.875391D+01  0.534328D-02 -0.121847D+01 -0.928372D+01 -0.454908D+01
      2   0.161937D+01 -0.931987D+01  0.317398D+00 -0.179664D+01 -0.272696D+01
      3   0.101733D+01 -0.363567D+01  0.790414D+00  0.144444D+01  0.189112D+01
                56            57            58            59            60 
      1  -0.444988D+01  0.357585D+01 -0.124359D+01  0.858678D-01 -0.731419D+01
      2   0.445915D+01  0.913979D+01  0.462846D+01 -0.364532D+01 -0.376125D+01
      3  -0.814778D+01 -0.128062D+01  0.104993D+01  0.912157D+01  0.330102D+01
                61            62            63            64            65 
      1   0.119796D+01 -0.123025D+01 -0.440206D+00  0.319670D+01  0.114591D+01
      2   0.485922D+01 -0.125160D+01 -0.104886D+02 -0.242923D+01 -0.243805D+01
      3   0.407178D+00  0.845437D+01  0.120601D+01  0.505127D+01 -0.291311D+01
                66            67            68            69            70 
      1  -0.344641D+01  0.153387D+01  0.118777D+01 -0.283592D+01 -0.377141D+01
      2   0.513096D+01 -0.713891D+00 -0.991105D+00  0.196373D+01  0.252763D+01
      3  -0.152266D+01  0.216234D+01  0.655022D+00 -0.134329D+00 -0.374620D+01
                71            72            73            74            75 
      1  -0.555472D+00  0.371696D+01 -0.141708D+01 -0.106903D+01 -0.207023D+01
      2   0.264876D+01 -0.499746D+01  0.119246D+01  0.101996D+01  0.309028D+01
      3   0.149920D+01  0.434596D+00 -0.134315D+01  0.954027D+00  0.597335D+00
                76            77            78            79            80 
      1  -0.674823D+00 -0.164949D+01 -0.412962D+01 -0.316816D+01 -0.453792D+01
      2   0.453030D+00  0.226762D+01  0.303427D+01  0.135325D+01  0.584168D+01
      3   0.283412D+01 -0.206311D+01 -0.186468D+01  0.247345D+01 -0.233994D+01
                81            82            83            84            85 
      1  -0.992334D+01  0.182660D+01  0.101724D+01  0.207965D+01  0.135966D+01
      2   0.963223D+01  0.404806D-01 -0.598830D+00  0.823897D+00 -0.159901D+01
      3  -0.323187D+00 -0.553412D+00 -0.333629D+01 -0.145677D+01 -0.182720D+01
                86            87            88            89            90 
      1   0.327167D+01  0.328466D+01  0.269072D+01  0.444518D+01  0.163864D+02
      2  -0.715944D+00 -0.445621D-01 -0.378064D+01 -0.630413D+00  0.704520D+00
      3  -0.229402D+00 -0.280793D+00 -0.300068D+01 -0.887101D+00 -0.199600D+01
                91            92            93            94            95 
      1  -0.944959D+00  0.195480D+00  0.529067D+00 -0.604671D+00 -0.139903D+01
      2  -0.766252D-01  0.522792D+00  0.116340D+01  0.221948D+01 -0.223271D+01
      3   0.414068D-01  0.839589D+00  0.926145D+00  0.767338D+01 -0.299106D+00
                96            97            98            99           100 
      1  -0.438783D+01  0.348461D+00 -0.946591D+00  0.173632D+01  0.332278D+01
      2  -0.286344D+00 -0.168033D+00 -0.796663D+00 -0.273520D+00  0.641413D+01
      3  -0.340982D+00  0.171239D+01 -0.681759D+00 -0.564359D+00 -0.824868D+01
               101           102           103           104           105 
      1  -0.119789D+01  0.236164D+01 -0.126266D+01  0.962022D+00 -0.206461D+01
      2  -0.221747D+01  0.537347D+01 -0.109496D+01  0.146038D+01 -0.195877D+01
      3  -0.422997D+01 -0.858443D+00  0.124481D+01 -0.190059D+00 -0.585905D+00
               106           107           108           109           110 
      1   0.218828D+01 -0.466455D+00  0.112329D+01  0.105222D+00  0.721946D+00
      2   0.253483D+01 -0.237917D+01  0.180902D+01 -0.743913D+00 -0.641593D+00
      3  -0.285673D+01 -0.190356D+01  0.212174D+00  0.127395D+01  0.106211D+01
               111           112           113           114           115 
      1  -0.942539D+00  0.351744D+00 -0.534202D+00 -0.318437D+01  0.835208D+00
      2  -0.566335D-01 -0.717193D+00 -0.304039D+01 -0.335302D+01 -0.245997D+01
      3   0.651665D+00  0.297610D+01  0.185102D+01  0.250861D+01  0.196989D+01
               116           117           118           119           120 
      1   0.148503D+01 -0.823683D+01  0.971842D+01 -0.113151D+00 -0.301727D+01
      2  -0.451413D+01 -0.117556D+02 -0.357586D+01 -0.836973D+00  0.127250D+02
      3   0.445032D+01  0.350375D+01 -0.115843D+02  0.300198D+00 -0.778791D+01
               121           122           123           124           125 
      1  -0.322366D+01 -0.109571D+02 -0.758649D+01 -0.311339D+01 -0.201470D+01
      2  -0.617179D+00  0.783843D+00  0.439425D+01  0.761623D+01  0.531717D+01
      3   0.726285D+01  0.144231D+02  0.699184D+00 -0.636184D+01 -0.181517D+01
               126           127           128           129           130 
      1   0.362029D+01 -0.509893D+00 -0.221600D+01 -0.115676D+01 -0.145911D+01
      2  -0.181775D+01  0.795102D+00  0.228514D+00  0.341482D+01  0.162802D+01
      3  -0.223755D+01  0.113772D+01 -0.381617D+01 -0.135907D+01  0.608526D+00
               131           132           133           134           135 
      1  -0.698564D+00 -0.149385D+01  0.484453D+00  0.197311D+01  0.628079D+00
      2  -0.224729D+00  0.263821D+01 -0.213382D+01  0.182431D+01 -0.348403D+01
      3  -0.963902D+00  0.145962D+01 -0.329718D+01  0.263574D+01 -0.206208D+00
               136           137           138           139           140 
      1  -0.664907D+00  0.495061D+00  0.190797D+00  0.422889D+00 -0.101260D+02
      2  -0.742445D+00  0.816038D+00  0.145254D+01  0.212481D+01 -0.893089D+00
      3  -0.112327D+01 -0.130606D+01  0.854620D+00  0.549646D+01  0.221408D+01
               141           142           143           144           145 
      1  -0.283919D+01  0.540839D+00 -0.264698D+00 -0.179519D+00  0.129097D+01
      2  -0.287819D+00 -0.492468D+00 -0.307774D+00 -0.125991D+00  0.129595D+01
      3   0.289128D+00  0.770264D+00  0.101873D+01  0.260148D+00  0.993197D+00
               146           147           148           149           150 
      1   0.197698D+00  0.255189D+01 -0.417264D+00  0.125645D+01  0.400690D+01
      2  -0.517508D+00 -0.985095D+00 -0.182850D+01  0.283107D-01 -0.508245D+00
      3  -0.181832D+01 -0.162002D+01 -0.188609D+00 -0.231993D+00 -0.994176D+00
               151           152           153           154           155 
      1   0.691096D+00  0.437422D+01  0.129775D+02 -0.438618D+01 -0.323964D+01
      2  -0.336653D+01  0.356605D+00 -0.213612D+00  0.830032D+01  0.177827D+01
      3  -0.128478D+01 -0.346680D+00 -0.234651D+01 -0.215735D+01 -0.745069D+00
               156           157           158           159           160 
      1   0.430958D+01 -0.179820D+01 -0.231827D+01  0.162879D+01  0.376891D+01
      2  -0.604257D+01  0.218381D+01  0.226318D+01 -0.176679D+01 -0.822655D+01
      3   0.247625D+01  0.418243D+00 -0.885262D+00 -0.699930D+00  0.217450D+01
               161           162           163           164           165 
      1   0.436779D+01 -0.710815D+01 -0.575711D+01  0.265806D+01 -0.288629D+01
      2  -0.166220D+01  0.941963D+01 -0.297753D+01  0.104823D+01  0.378106D+01
      3  -0.291938D+00 -0.212614D+01  0.114437D+02 -0.638692D+01  0.425524D+01
               166           167           168           169           170 
      1   0.195208D+01 -0.994380D+00  0.928760D+00 -0.241544D+01  0.200702D+01
      2   0.682966D+00 -0.116051D+00 -0.180168D+01 -0.170808D+01 -0.614669D+00
      3  -0.348154D+01  0.193793D+01 -0.139461D+01  0.358859D+01 -0.130066D+01
               171           172           173           174           175 
      1  -0.268330D+01 -0.219344D+00  0.293221D+00  0.370489D+00  0.671424D+00
      2   0.227923D+01  0.791205D+00 -0.592787D+00 -0.923661D-01 -0.977383D+00
      3   0.307478D+01 -0.510650D+00 -0.102175D+00  0.797473D+00  0.273691D+01
               176           177           178           179           180 
      1   0.972310D+01 -0.443788D+01  0.568866D+00 -0.742278D-01  0.743682D+00
      2   0.143494D+01  0.236533D+01 -0.131170D+01  0.105189D+01  0.148041D+00
      3  -0.169268D+02 -0.122724D+01  0.719703D-01  0.555424D+00 -0.172644D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.221319D+02  0.154665D+02 -0.283205D+01  0.213451D+02 -0.853792D+01
      2   0.845155D+01 -0.484306D+01 -0.291895D+01 -0.147557D+02  0.210347D+01
      3   0.136804D+02 -0.106234D+02  0.575100D+01 -0.658936D+01  0.643445D+01
      4   0.267375D+02 -0.103034D+02 -0.943880D+01 -0.169784D+02 -0.151485D+01
      5   0.873487D+01 -0.663563D+01 -0.270041D+01 -0.965758D+01  0.511134D+01
      6  -0.452918D+01  0.827670D+01  0.154644D+01  0.365793D+00 -0.574164D+01
                 6             7             8             9            10 
      1  -0.915183D+01  0.137650D+02 -0.106368D+02 -0.179448D+01 -0.142725D+01
      2   0.440430D+01 -0.646875D+01  0.195944D+01 -0.362587D+01 -0.212177D+01
      3   0.474754D+01 -0.729626D+01  0.867739D+01  0.542034D+01  0.354902D+01
      4   0.351970D+01 -0.138945D+02  0.113461D+02  0.107061D+02 -0.122819D+02
      5   0.835609D+01  0.294099D+01  0.592895D+01  0.126294D+02  0.116483D+02
      6  -0.745798D+01  0.390291D+01 -0.202109D+01  0.106429D+01  0.985711D+01
                11            12            13            14            15 
      1  -0.975585D+01  0.101188D+02 -0.653025D+01 -0.266348D+01  0.572507D+01
      2   0.611586D+01 -0.542305D+01  0.377917D+01  0.129700D+02 -0.364550D+01
      3   0.363998D+01 -0.469575D+01  0.275107D+01 -0.103065D+02 -0.207958D+01
      4  -0.986035D+01  0.932250D+01 -0.162369D+01 -0.353438D-01 -0.279074D+01
      5   0.680861D+01 -0.113158D+02  0.427201D+01 -0.186158D+01 -0.872052D+01
      6  -0.185227D+01 -0.737891D+01  0.178533D+01 -0.221647D+01 -0.622303D+01
                16            17            18            19            20 
      1   0.868100D+01  0.991022D+01 -0.346921D+00 -0.447815D+01 -0.213001D+01
      2  -0.432317D+01 -0.559216D+01 -0.150728D+01  0.686980D+01  0.362126D+01
      3  -0.435783D+01 -0.431806D+01  0.185420D+01 -0.239165D+01 -0.149126D+01
      4   0.109757D+02 -0.681091D+01 -0.201601D+02 -0.533808D+01 -0.163249D+01
      5  -0.132571D+02 -0.135229D+02 -0.738806D+01  0.178081D+01 -0.179100D+01
      6  -0.109257D+02 -0.151634D+02 -0.141338D+02 -0.752163D+01 -0.123180D+00
                21            22            23            24            25 
      1   0.227251D+01 -0.186351D+01  0.292971D+02 -0.399592D+00  0.329262D+01
      2  -0.736951D-01  0.550782D+01 -0.531013D+02  0.605042D+01  0.581373D+00
      3  -0.219881D+01 -0.364430D+01  0.238042D+02 -0.565083D+01 -0.387400D+01
      4  -0.445475D+01  0.632784D+01  0.122357D+02 -0.193162D+01 -0.494341D+01
      5  -0.175294D+01 -0.186827D+00 -0.140023D+01 -0.639504D+00  0.140359D+01
      6   0.540121D+01 -0.245073D+01  0.967022D+01  0.808718D+01  0.426054D+01
                26            27            28            29            30 
      1   0.376096D+00  0.502413D+01 -0.251554D+02  0.157080D+02 -0.104267D+02
      2  -0.622469D+00  0.121237D+02  0.580699D+01 -0.892435D+01  0.703168D+01
      3   0.246373D+00 -0.171478D+02  0.193484D+02 -0.678362D+01  0.339499D+01
      4   0.153043D+01  0.291343D+01  0.226241D+02 -0.677474D+01  0.589044D+01
      5  -0.593971D+00 -0.463410D+01 -0.100937D+02  0.428281D+00  0.423698D+01
      6   0.759901D+01  0.185774D+02  0.308119D+01  0.108415D+01 -0.340528D+01
                31            32            33            34            35 
      1   0.957918D+01 -0.248372D+01  0.633255D+01 -0.120488D+02  0.663551D+01
      2  -0.466843D+01  0.847215D+01  0.924584D+00  0.631666D+01  0.478635D+01
      3  -0.491075D+01 -0.598843D+01 -0.725714D+01  0.573212D+01 -0.114219D+02
      4  -0.960694D+01 -0.667180D+01  0.777786D+00  0.105443D+02  0.398912D+01
      5   0.475174D+00 -0.254588D+01  0.647866D+01  0.999454D+00  0.101856D+02
      6  -0.968966D+00 -0.302419D+01 -0.103248D+02  0.963651D+00 -0.974013D+01
                36            37            38            39            40 
      1   0.111931D+02  0.367346D+00 -0.102538D+02  0.165156D+02 -0.575875D+01
      2   0.577298D+00  0.231650D+01  0.633656D+01 -0.109098D+02  0.385646D+01
      3  -0.117704D+02 -0.268384D+01  0.391722D+01 -0.560584D+01  0.190230D+01
      4   0.112544D+02 -0.857076D+01 -0.573763D+01  0.679668D+01 -0.783283D+01
      5   0.133611D+02  0.205031D+02  0.617722D+01 -0.152296D+02  0.201529D+01
      6  -0.213747D+02  0.948322D+01 -0.501045D+00 -0.592190D+01  0.350792D+01
                41            42            43            44            45 
      1  -0.631709D+01 -0.143615D+01  0.113957D+02  0.262370D+01 -0.113811D+02
      2   0.914052D+01 -0.181472D+00 -0.922399D+01 -0.712071D+01  0.342587D+01
      3  -0.282343D+01  0.161762D+01 -0.217168D+01  0.449701D+01  0.795522D+01
      4   0.565360D+01  0.226748D+01  0.396454D+01 -0.329171D+01 -0.180376D+02
      5   0.474516D+01 -0.108366D+02 -0.166987D+02 -0.147865D+02  0.380036D+01
      6   0.259791D+00 -0.741862D+01 -0.100821D+02 -0.583355D+01  0.164654D+01
                46            47            48            49            50 
      1   0.108692D+01 -0.619570D+01  0.290832D+01 -0.271330D+01  0.154128D+02
      2  -0.163416D+01  0.809874D+01  0.378354D+01  0.402995D+01 -0.280136D+02
      3   0.547244D+00 -0.190304D+01 -0.669187D+01 -0.131665D+01  0.126007D+02
      4  -0.607522D+01 -0.839184D+00 -0.698981D-01  0.360131D+01  0.906428D+01
      5  -0.528127D+01 -0.396204D+00  0.241461D+01 -0.299379D+00 -0.296505D+01
      6  -0.558575D+01 -0.497302D+01  0.313548D+01 -0.286546D+01  0.103339D+02
                51            52            53            54            55 
      1   0.702169D+01 -0.268115D+01  0.563148D+01  0.168236D+02  0.608594D+02
      2   0.749045D+01  0.183111D+01  0.167243D+01  0.139409D+02 -0.279343D+02
      3  -0.145121D+02  0.850037D+00 -0.730391D+01 -0.307644D+02 -0.329251D+02
      4  -0.496612D+00  0.693083D+00 -0.155531D+00 -0.156858D+00 -0.372480D+02
      5   0.805934D+00  0.396613D+01 -0.724806D+00 -0.636187D+01 -0.138235D+02
      6   0.540441D+01  0.105582D+01  0.539525D+01  0.301737D+01  0.547266D+01
                56            57            58            59            60 
      1  -0.179175D+02 -0.821458D+01 -0.200895D+02  0.937780D+01  0.247461D+01
      2   0.414012D+01  0.695095D+01  0.596836D+01  0.441362D+01 -0.335148D+00
      3   0.137774D+02  0.126363D+01  0.141212D+02 -0.137914D+02 -0.213947D+01
      4   0.262679D+02  0.791021D+01  0.311625D+02 -0.243316D+02 -0.817806D+01
      5   0.576187D+01  0.154354D+02  0.857379D+01 -0.683316D+01 -0.999332D+01
      6  -0.380700D+01 -0.582596D+01 -0.417719D+01  0.897310D+01  0.107084D+02
                61            62            63            64            65 
      1  -0.122691D+02  0.434780D+01  0.519827D+01  0.218967D+02  0.633154D+01
      2   0.957869D+01 -0.320694D+00 -0.831965D+01 -0.917175D+01  0.736852D-02
      3   0.269039D+01 -0.402711D+01  0.312138D+01 -0.127249D+02 -0.633891D+01
      4   0.134536D+02 -0.954518D+01 -0.134996D+02  0.242715D+02  0.162359D+02
      5   0.201970D+02 -0.118867D+02 -0.190315D+02 -0.142328D+02 -0.602329D+01
      6  -0.848276D+01  0.121450D+02  0.734016D+01 -0.785037D+01 -0.415399D+01
                66            67            68            69            70 
      1  -0.749162D+01  0.815622D+00 -0.226521D+00  0.852785D+00 -0.832639D+01
      2   0.433403D+01  0.432988D+01  0.477643D+01 -0.292305D+01  0.528441D+01
      3   0.315759D+01 -0.514550D+01 -0.454991D+01  0.207026D+01  0.304198D+01
      4  -0.989687D+01  0.125005D+02  0.109046D+02 -0.531216D+01 -0.141164D+02
      5   0.113038D+02 -0.283184D+01 -0.452850D+01  0.354628D+01  0.135914D+02
      6   0.649082D+01 -0.401198D+01 -0.511060D+01  0.631712D+01  0.844941D+01
                71            72            73            74            75 
      1  -0.132343D+01  0.193695D+01  0.132005D+01  0.353267D+01  0.198366D+01
      2  -0.122441D+01 -0.388550D+01  0.106641D+00 -0.118784D+01 -0.198649D+01
      3   0.254784D+01  0.194855D+01 -0.142669D+01 -0.234484D+01  0.282717D-02
      4  -0.933091D+01  0.116030D+02  0.776450D+01  0.809439D+01  0.551968D+01
      5   0.806271D+01 -0.123318D+02  0.542811D+01  0.311230D+01  0.759912D+01
      6   0.809133D+01 -0.815765D+01  0.436162D+01  0.303464D+01  0.373379D+01
                76            77            78            79            80 
      1   0.139525D+01 -0.662896D+01 -0.444227D+01  0.274340D+01 -0.703574D+01
      2   0.779627D+00  0.835136D+01  0.493760D+01 -0.238996D+01  0.631993D+01
      3  -0.217488D+01 -0.172240D+01 -0.495326D+00 -0.353439D+00  0.715807D+00
      4   0.708732D+01  0.947322D+01  0.763516D+01  0.855460D+01  0.141752D+02
      5   0.196173D+01  0.619134D+01  0.582563D+01  0.100479D+02  0.105849D+02
      6   0.361097D+01  0.101196D+02  0.118437D+02  0.797459D+01  0.161010D+02
                81            82            83            84            85 
      1  -0.700882D+01  0.171736D+01  0.424209D+00 -0.168536D+00  0.127837D+00
      2  -0.149244D+01 -0.489047D+01 -0.103618D+01 -0.100334D+01 -0.159885D+01
      3   0.850126D+01  0.317311D+01  0.611969D+00  0.117187D+01  0.147101D+01
      4   0.147958D+02 -0.636170D+00  0.221403D+01 -0.176809D+01 -0.338260D+00
      5   0.186801D+02  0.229821D+01  0.529760D+00  0.783217D+01  0.548009D+00
      6   0.225565D+02 -0.144802D+01  0.120494D+01 -0.287541D+01  0.652528D+00
                86            87            88            89            90 
      1  -0.324587D+01  0.113152D+00 -0.149863D+01  0.322594D+01 -0.167818D+02
      2   0.325544D+01 -0.494878D+01 -0.254710D+01 -0.426286D+01 -0.143509D+02
      3  -0.956127D-02  0.483563D+01  0.404573D+01  0.103692D+01  0.311327D+02
      4  -0.785380D+00  0.106443D+01 -0.353030D+01  0.171725D+01 -0.190539D+01
      5   0.107628D+01  0.919507D+00  0.513905D+01  0.467536D-01  0.746837D+01
      6  -0.240552D+01 -0.607455D-01 -0.309341D+01  0.592918D+01 -0.232768D+02
                91            92            93            94            95 
      1  -0.238183D+01  0.147108D+01 -0.464025D+00  0.316764D+01 -0.445848D+02
      2   0.698867D+01 -0.414419D+01  0.218924D+00 -0.605959D+01  0.788502D+02
      3  -0.460684D+01  0.267310D+01  0.245101D+00  0.289195D+01 -0.342654D+02
      4  -0.219525D+01  0.116625D+02 -0.692080D+00  0.936689D+01 -0.129875D+02
      5   0.151579D+00 -0.184985D+01  0.190549D+01 -0.144102D+01  0.264890D+01
      6  -0.275574D+00  0.673106D+00 -0.906338D+00  0.142213D+01 -0.148192D+02
                96            97            98            99           100 
      1   0.511286D+01 -0.246258D+00  0.425768D+00 -0.552121D+01  0.466839D+02
      2  -0.692459D+01 -0.421213D+00  0.100891D+01  0.523493D+01 -0.193199D+02
      3   0.181173D+01  0.667470D+00 -0.143468D+01  0.286283D+00 -0.273640D+02
      4   0.129668D+01  0.571115D+00 -0.190306D+00 -0.142604D+01 -0.325969D+02
      5  -0.974001D+00  0.105885D+01 -0.790657D+00  0.624322D+00  0.329872D+01
      6   0.875955D+01 -0.146933D+01  0.985603D+01 -0.321679D+01 -0.559364D+00
               101           102           103           104           105 
      1  -0.111425D+02  0.549158D+01 -0.623669D+01  0.504323D+01 -0.881102D+00
      2   0.106774D+01 -0.222095D+01 -0.194579D+01  0.188151D+01 -0.107715D+01
      3   0.100748D+02 -0.327062D+01  0.818248D+01 -0.692474D+01  0.195825D+01
      4   0.177541D+02 -0.356198D+01  0.167918D+02 -0.105690D+02  0.225719D+01
      5  -0.468009D+00  0.692181D+01 -0.530004D+00  0.163990D+01 -0.226490D+01
      6  -0.319238D+00 -0.276800D+01  0.246201D+00 -0.850085D+00  0.345333D+01
               106           107           108           109           110 
      1   0.938223D+01 -0.282276D+01  0.343038D+01  0.165100D+01 -0.396824D+01
      2  -0.393932D+01 -0.114216D+01 -0.254269D+01 -0.150221D+01  0.239276D+01
      3  -0.544291D+01  0.396492D+01 -0.887693D+00 -0.148793D+00  0.157547D+01
      4  -0.895785D+01  0.474028D+01 -0.556572D+01 -0.346775D+01  0.288454D+01
      5   0.861787D+01 -0.394886D+01  0.313754D+01 -0.157671D+01  0.173508D+01
      6  -0.351763D+01  0.365643D+01 -0.371702D+00  0.267019D+01  0.665912D+00
               111           112           113           114           115 
      1  -0.242794D+01 -0.198304D+01 -0.742706D+01 -0.653858D+01 -0.148812D+01
      2   0.120332D+01  0.101390D+01  0.574123D+01  0.375141D+01  0.204985D+01
      3   0.122463D+01  0.969141D+00  0.168583D+01  0.278717D+01 -0.561728D+00
      4   0.221687D+01  0.464870D+01 -0.442589D+01 -0.582487D+01  0.412006D+01
      5   0.426091D+01  0.229838D+01 -0.468225D+01 -0.543447D+01  0.712203D+01
      6   0.228319D+01 -0.153828D+01  0.109458D+02  0.146534D+02 -0.353656D+01
               116           117           118           119           120 
      1  -0.823912D+01 -0.158517D+02 -0.241488D+02  0.831154D+01 -0.244633D+02
      2   0.197084D+01 -0.846400D+01  0.241522D+02 -0.432854D+01  0.711943D+01
      3   0.626828D+01  0.243157D+02 -0.339597D-02 -0.398300D+01  0.173438D+02
      4  -0.876463D+01 -0.108277D+02  0.854908D+00  0.543191D+01 -0.528057D+01
      5  -0.897929D+01 -0.204852D+02 -0.222176D+02  0.452125D+01 -0.374796D+01
      6   0.148480D+02  0.266819D+02 -0.302018D+01  0.146752D+00  0.573881D+01
               121           122           123           124           125 
      1   0.144546D+02  0.148564D+02  0.130916D+01 -0.209152D+02 -0.205207D+01
      2  -0.110050D+02 -0.349931D+02 -0.668767D+01  0.761227D+01 -0.133159D+01
      3  -0.344963D+01  0.201367D+02  0.537852D+01  0.133029D+02  0.338366D+01
      4   0.408650D+01 -0.233760D+02  0.132385D+01 -0.419709D+01  0.539086D+01
      5   0.775145D+01  0.885181D+00  0.748134D+01 -0.188372D+01  0.928093D+01
      6   0.348576D+00 -0.814410D+01  0.794909D+01  0.732395D+01  0.717088D+01
               126           127           128           129           130 
      1   0.340440D+01  0.218548D+02  0.646504D+01 -0.113360D+02  0.477787D+01
      2   0.445297D+01 -0.155059D+02 -0.398945D+01  0.101386D+02 -0.130428D+01
      3  -0.785738D+01 -0.634886D+01 -0.247559D+01  0.119737D+01 -0.347358D+01
      4   0.144249D+02  0.158197D+02  0.106054D+02 -0.829810D+01  0.118174D+02
      5   0.556018D+01 -0.228506D+02 -0.694174D+01  0.194733D+02 -0.657272D+01
      6   0.480766D+01 -0.790620D+01 -0.416492D+01  0.739143D+01 -0.547389D+01
               131           132           133           134           135 
      1   0.220587D+01 -0.121723D+01 -0.907958D+01 -0.163987D+01  0.491850D+01
      2   0.974925D-01  0.271445D+00  0.107938D+02  0.312007D+01 -0.126447D+02
      3  -0.230337D+01  0.945782D+00 -0.171425D+01 -0.148020D+01  0.772621D+01
      4   0.829605D+01 -0.697690D+01 -0.920335D+01 -0.636900D+01  0.100182D+02
      5  -0.764752D+01  0.750856D+01  0.208189D+02  0.882978D+01 -0.225367D+02
      6  -0.611589D+01  0.861346D+01  0.771201D+01  0.710446D+01 -0.103693D+02
               136           137           138           139           140 
      1  -0.190705D+00  0.196392D+01 -0.988879D+00  0.129394D+01 -0.267076D+02
      2   0.420025D+01 -0.430605D+01  0.476634D+00 -0.274859D+01  0.430885D+02
      3  -0.400955D+01  0.234213D+01  0.512245D+00  0.145465D+01 -0.163809D+02
      4  -0.233439D+01  0.103826D+02 -0.144576D+01  0.698245D+01 -0.746729D+01
      5   0.827087D+00 -0.342600D+01  0.222782D+01 -0.248558D+01  0.316747D+01
      6  -0.178910D+01  0.253582D+01 -0.120057D+01  0.279027D+01 -0.190224D+02
               141           142           143           144           145 
      1   0.549218D+01 -0.337613D+00  0.146149D+00 -0.499009D+01 -0.274791D+00
      2  -0.494131D+01 -0.523897D+00  0.237254D+01  0.201091D+01 -0.462723D+01
      3  -0.550866D+00  0.861510D+00 -0.251869D+01  0.297917D+01  0.490202D+01
      4   0.175170D+01  0.726890D-02 -0.129583D+01 -0.721267D+00  0.111006D+01
      5  -0.136754D+01  0.931821D+00 -0.419297D+00  0.711072D+00  0.312178D+01
      6   0.959681D+01 -0.838262D+00  0.707178D+01 -0.299177D+01 -0.355450D+00
               146           147           148           149           150 
      1   0.932380D+00 -0.194109D+01  0.135720D+01 -0.403077D+01 -0.482650D+01
      2  -0.251063D+00 -0.283509D+01 -0.752594D+00  0.986335D-01 -0.588896D+01
      3  -0.681318D+00  0.477618D+01 -0.604604D+00  0.393214D+01  0.107155D+02
      4   0.155644D+01 -0.188944D+01 -0.367761D+00  0.594500D-01  0.638497D+00
      5   0.457893D+00  0.930154D+01  0.149688D+01  0.953073D+00  0.201645D+01
      6   0.137046D+01 -0.205389D+01  0.771653D+00  0.157102D-01  0.374635D+01
               151           152           153           154           155 
      1   0.231509D+00  0.624954D+00 -0.280936D+02 -0.344681D+01 -0.491294D+00
      2  -0.259534D+01 -0.296022D+01 -0.221065D+02 -0.366045D+01 -0.137056D+01
      3   0.236383D+01  0.233526D+01  0.502001D+02  0.710726D+01  0.186185D+01
      4  -0.261831D+01  0.638275D+00 -0.173149D+01 -0.628168D+01 -0.252806D+01
      5   0.624166D+01  0.127151D+00  0.897242D+01 -0.213528D+01 -0.153472D+01
      6  -0.113299D+01  0.581376D+01 -0.127234D+02  0.162090D+01 -0.319229D+01
               156           157           158           159           160 
      1   0.111395D+02 -0.283918D+01 -0.447774D+01  0.920775D+00  0.100365D+02
      2   0.192747D+01  0.127537D+01  0.403395D+01  0.312792D+01  0.831839D+00
      3  -0.130670D+02  0.156381D+01  0.443795D+00 -0.404869D+01 -0.108684D+02
      4   0.348832D+01 -0.122117D+01  0.592153D+00  0.102801D+01  0.535536D+01
      5   0.384705D+00 -0.183977D+01 -0.256103D+00 -0.215704D+01  0.423557D+01
      6  -0.606478D+01 -0.143805D+01  0.595611D+00  0.117581D+01 -0.219751D+01
               161           162           163           164           165 
      1   0.549445D+00 -0.148424D+02  0.481926D+02 -0.408295D+01  0.143731D+02
      2   0.245913D+01 -0.887240D+01 -0.318189D+02  0.479028D+01 -0.129507D+02
      3  -0.300858D+01  0.237148D+02 -0.163737D+02 -0.707329D+00 -0.142239D+01
      4   0.251611D+01 -0.465572D+01  0.119235D+02  0.782155D+01  0.512122D+01
      5   0.182722D+00  0.384363D+01  0.292758D+02 -0.100905D+01  0.184341D+02
      6   0.366109D+01  0.803815D+01  0.306692D+01  0.406372D+01  0.317293D+01
               166           167           168           169           170 
      1  -0.108870D+02  0.365657D+01 -0.321819D+01  0.102952D+02 -0.174090D+00
      2   0.840367D+01 -0.107070D+00  0.416095D+01 -0.103118D+02  0.127372D+01
      3   0.248328D+01 -0.354950D+01 -0.942757D+00  0.166374D-01 -0.109963D+01
      4   0.449844D+01  0.593487D-01  0.151157D+01  0.370761D+01  0.133853D+01
      5  -0.671640D+01  0.318103D+01 -0.529046D+01  0.161116D+02 -0.165764D+01
      6   0.223096D+01 -0.362331D+00  0.611035D+00  0.200763D+01  0.174475D+01
               171           172           173           174           175 
      1   0.614099D+01  0.237772D+01  0.344177D+01  0.271588D+01  0.153157D+01
      2  -0.100293D+02  0.110839D+01 -0.124480D+01 -0.124467D+01  0.400540D+01
      3   0.388828D+01 -0.348611D+01 -0.219697D+01 -0.147121D+01 -0.553697D+01
      4   0.110037D+01  0.450328D+01  0.777084D+01  0.814975D+00  0.123765D+02
      5   0.119046D+02  0.271640D+01  0.827806D+00  0.170498D+01  0.316840D+01
      6   0.206284D+01  0.122701D+01  0.307549D-01 -0.493059D+00  0.276550D+01
               176           177           178           179           180 
      1  -0.231891D+02 -0.343311D+01  0.685425D+00 -0.762868D+00 -0.391832D+01
      2   0.502823D+02  0.281399D+01 -0.517640D+00 -0.255580D+01  0.361473D+01
      3  -0.270932D+02  0.619125D+00 -0.167785D+00  0.331867D+01  0.303589D+00
      4   0.344094D+02  0.401220D+01 -0.485965D+00 -0.162819D+01  0.187131D+01
      5   0.312058D+01  0.473995D+01  0.169479D+01  0.266415D+01 -0.350557D+00
      6   0.171832D+02  0.925559D+01  0.208734D+00  0.757655D+01  0.110760D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x         -0.102319D+01     -0.260068D+01     -0.867494D+01
   y          0.647983D+00      0.164701D+01      0.549383D+01
   z          0.483614D+00      0.122922D+01      0.410025D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.863494D+02      0.127957D+02      0.142371D+02
   yx        -0.104942D+01     -0.155509D+00     -0.173027D+00
   yy         0.845157D+02      0.125239D+02      0.139348D+02
   zx        -0.193893D+01     -0.287320D+00     -0.319687D+00
   zy         0.293359D+00      0.434713D-01      0.483684D-01
   zz         0.733527D+02      0.108698D+02      0.120942D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.876585D+02      0.129896D+02      0.144529D+02
   aniso      0.144493D+02      0.214116D+01      0.238236D+01
   xx         0.932791D+02      0.138225D+02      0.153796D+02
   yx        -0.141693D+01     -0.209967D+00     -0.233620D+00
   yy         0.910064D+02      0.134858D+02      0.150049D+02
   zx        -0.242671D+01     -0.359602D+00     -0.400111D+00
   zy         0.284571D+00      0.421690D-01      0.469194D-01
   zz         0.786900D+02      0.116607D+02      0.129742D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31995535          0.11008730         -2.11060588
     6          1.84263234          2.50472097         -0.63005441
     6         -0.04258463          2.84197498          1.55392716
     6         -0.21654866          0.46075033          3.18084895
     6         -0.88084855         -1.90126013          1.63091891
     6          1.05624842         -2.25554022         -0.51876698
     8          1.11292954          0.09261262         -4.38743087
     1          1.82350490          4.10364108         -1.92636991
     1          3.75399859          2.33996985          0.15341856
     1         -1.89984722          3.30447612          0.77908998
     1          0.52165459          4.45520983          2.70970982
     1         -1.61855586          0.72753580          4.67359822
     1          1.60017961          0.15352772          4.12344464
     6         -3.57737787         -1.82182635          0.59113052
     1         -0.73686767         -3.54289162          2.87853827
     1          0.55110110         -3.82818113         -1.74874708
     1          2.91210222         -2.65662609          0.30790623
     1         -3.83603400         -0.29675280         -0.77353237
     1         -4.94469776         -1.54936504          2.11201673
     1         -4.03883873         -3.58488625         -0.37401979

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130410D+01      0.331469D+01      0.110566D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.763263D+02      0.113104D+02      0.125845D+02
   yx         0.432569D+01      0.641001D+00      0.713210D+00
   yy         0.817275D+02      0.121108D+02      0.134750D+02
   zx        -0.315101D+01     -0.466932D+00     -0.519532D+00
   zy         0.123097D+01      0.182411D+00      0.202959D+00
   zz         0.861640D+02      0.127682D+02      0.142065D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.876585D+02      0.129896D+02      0.144529D+02
   aniso      0.144493D+02      0.214116D+01      0.238236D+01
   xx         0.816995D+02      0.121066D+02      0.134704D+02
   yx         0.466866D+01      0.691824D+00      0.769758D+00
   yy         0.879426D+02      0.130317D+02      0.144998D+02
   zx        -0.349869D+01     -0.518453D+00     -0.576857D+00
   zy         0.128792D+01      0.190851D+00      0.212350D+00
   zz         0.933334D+02      0.138306D+02      0.153886D+02

 ----------------------------------------------------------------------
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 FROM AN ANONYMOUS WRITER, ON PERSPECTIVE:

 MAN, DESPITE HIS ARTISTIC PRETENSIONS, HIS SOPHISTICATION AND MANY 
 ACCOMPLISHMENTS, OWES THE FACT OF HIS EXISTENCE TO A SIX-INCH LAYER OF 
 TOPSOIL AND THE FACT THAT IT RAINS.
 Job cpu time:       0 days  3 hours 34 minutes 25.0 seconds.
 Elapsed time:       0 days  0 hours 13 minutes 26.0 seconds.
 File lengths (MBytes):  RWF=    250 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:23:10 2021.
